13574-84-0

2-異丁吲哚丁醇(13574-84-0)紅外圖譜(IR1)

分子式:C29H46N2O6

分子量: 518.69

InChI:InChI=1/C17H23NO6.C12H23N/c1-17(2,3)24-16(22)18-13(15(20)21)9-10-14(19)23-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21);11-13H,1-10H2/t13-;/s3

InChIKey: PLGYLOMCRIZGSY-PHCOUKOGNA-N

Smiles:C1(CCCCC1)NC1CCCCC1.C1(C=CC=CC=1)COC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C |&1:25,r|

Mass

MS-NW-9130          
N-tert-butoxycarbonyl-L-glutamic acid gamma-benzyl ester dicyclohexylamine salt
C17H23NO6 C12H23N   (Mass of molecular ion:    337)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       3.6
      27.0       2.6
      28.0       6.7
      29.0       6.6
      30.0       1.3
      31.0       3.8
      39.0       5.6
      40.0       1.0
      41.0      20.3
      42.0       1.7
      43.0       5.0
      44.0       6.9
      51.0       2.3
      53.0       1.0
      54.0       1.0
      55.0       4.7
      56.0      13.0
      57.0      63.8
      58.0       3.7
      59.0      13.8
      63.0       1.0
      65.0       6.0
      74.0       1.1
      77.0       4.5
      78.0       1.1
      79.0       7.8
      82.0       2.0
      83.0       1.4
      84.0      17.0
      85.0       3.6
      87.0       1.1
      89.0       2.1
      90.0       3.7
      91.0     100.0
      92.0      10.6
     100.0       3.1
     101.0       2.1
     102.0       5.0
     103.0       5.4
     105.0       1.3
     107.0      13.2
     108.0      19.8
     109.0       1.6
     119.0       2.8
     128.0       4.5
     129.0       2.6
     130.0       9.5
     138.0      12.4
     139.0       1.4
     146.0      11.5
     147.0       2.6
     174.0       3.4
     181.0       1.7
     190.0       1.6
     192.0      22.6
     193.0       2.9
     236.0       3.9
     237.0       5.6
     238.0       1.3
     263.0       1.0
     281.0      11.2
     282.0       1.9
     292.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₂₃ N O₆	0.042 g : 0.5 ml CDCl₃
N-tert-butoxycarbonyl-L-glutamic acid gamma-benzyl ester dicyclohexylamine salt

    Assign.     Shift(ppm)

      A             7.33
      B             5.51
      C     *1      5.098
      D     *1      5.091
      E             3.99
      F             2.95
      G     *2      2.525
      J     *2      2.367
      K     *3      2.237
      L     *3      2.02
      M             1.98
      N             1.75
      P             1.60
      Q             1.433
      R             1.39
      S             1.17

     Hz     ppm     Int.

   2937.01   7.349     36
   2934.88   7.344    113
   2933.96   7.342    119
   2932.59   7.338    136
   2929.84   7.332    902
   2926.18   7.322    141
   2924.04   7.317     91
   2921.60   7.311     53
   2919.01   7.304     35
   2917.63   7.301     43
   2204.59   5.517     32
   2198.03   5.500     34
   2036.74   5.097    297
   2035.37   5.093    261
   1595.76   3.993     31
   1595.46   3.993     31
   1190.49   2.979     35
   1182.56   2.959     44
   1179.05   2.951     71
   1175.38   2.942     45
   1167.45   2.922     38
    793.00   1.985    119
    782.47   1.958    120
    703.58   1.761     82
    697.33   1.745     96
    697.02   1.745     96
    696.72   1.744     96
    694.73   1.739     99
    644.99   1.614     69
    635.38   1.590     58
    572.66   1.433   1000
    564.88   1.414    115
    561.98   1.407    118
    552.37   1.383     96
    549.93   1.377    100
    540.77   1.354     41
    537.72   1.346     37
    498.66   1.248     31
    486.15   1.217     80
    473.02   1.184    111
    464.17   1.162    120
    456.24   1.142     63
    443.57   1.110     31

in CDCl3