N-(tert-Butoxycarbonyl)-L-glutamine(13726-85-7) ¹³C NMR

Product NameN-(tert-Butoxycarbonyl)-L-glutamine

CAS 13726-85-7

Molecular FormulaC10H18N2O5

Molecular Weight246.26

InChIInChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1

InChIKey VVNYDCGZZSTUBC-LURJTMIESA-N

SmilesC(O)(=O)[C@H](CCC(N)=O)NC(OC(C)(C)C)=O

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N-(tert-Butoxycarbonyl)-L-glutamine(13726-85-7) <sup>13</sup>C NMR
Mass

MS2015-05292CW      
N(alpha)-tert-butoxycarbonyl-L-glutamine
C10H18N2O5          (Mass of molecular ion:    246)

   Source Temperature: 245 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      15.0       1.0
      17.0       1.5
      18.0       7.6
      26.0       1.2
      27.0       5.0
      28.0      13.0
      29.0      11.0
      30.0       1.9
      31.0       5.1
      38.0       1.1
      39.0       7.8
      40.0       1.7
      41.0      38.3
      42.0       3.5
      43.0       6.1
      44.0      16.0
      45.0       2.5
      53.0       1.1
      54.0       2.9
      55.0       5.6
      56.0      19.6
      57.0      82.2
      58.0       4.0
      59.0      67.6
      60.0       2.1
      72.0       7.2
      73.0      10.2
      74.0       1.4
      82.0       4.4
      83.0       4.5
      84.0     100.0
      85.0       7.4
      86.0       1.0
      87.0       1.2
      88.0       2.1
      99.0       1.2
     100.0       7.2
     101.0      52.5
     102.0       3.6
     110.0       2.0
     111.0       1.8
     119.0       1.0
     126.0       1.2
     127.0       3.8
     128.0       4.4
     129.0       5.4
     130.0       6.2
     144.0       3.4
     145.0      20.5
     146.0       9.2
     147.0       2.9
     155.0       6.7
     156.0       1.4
     172.0       3.3
     173.0      16.2
     174.0       1.3
     190.0      13.1
     191.0       2.0
     201.0       6.7

400 MHz in DMSO-d6

N-(tert-Butoxycarbonyl)-L-glutamine(13726-85-7) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₁₀ H₁₈ N₂ O₅	0.040 g : 0.5 ml DMSO-d₆
N(alpha)-tert-butoxycarbonyl-L-glutamine

    Assign.     Shift(ppm)

      A            12.
      B     *1      7.27
      C             7.07
      D     *1      6.76
      E             3.854
      F             2.128
      G     *2      1.910
      J     *2      1.707
      K             1.380

     Hz     ppm     Int.

   2908.87   7.279     41
   2829.19   7.080     48
   2821.13   7.060     49
   2703.17   6.764     41
   2702.62   6.763     41
   1543.36   3.862     26
   1539.15   3.852     25
   1538.78   3.851     25
    858.50   2.149     49
    850.81   2.129    100
    843.30   2.111     55
    760.51   1.903     24
    684.49   1.713     22
    551.88   1.381   1000

in DMSO-d6