4-甲氧基肉桂腈(28446-68-6)核磁圖(¹HNMR)

產(chǎn)品名稱:4-甲氧基肉桂腈

CAS:28446-68-6

分子式:C10H9NO

分子量: 159.18

InChI:InChI=1S/C10H9NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7H,1H3

InChIKey: CNBCNHHPIBKYBO-UHFFFAOYSA-N

Smiles:C(#N)C=CC1=CC=C(OC)C=C1

¹HNMR

IR1

Raman

Mass

MS-IW-3489          
4-methoxycinnamonitrile
C10H9NO             (Mass of molecular ion:    159)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      38.0       1.6
      39.0       5.3
      50.0       3.5
      51.0       3.9
      52.0       1.1
      61.0       1.2
      62.0       3.6
      63.0       9.0
      64.0       3.4
      65.0       2.1
      74.0       1.7
      75.0       2.8
      76.0       2.1
      77.0       2.8
      78.0       1.1
      79.5       1.1
      87.0       1.0
      88.0       2.4
      89.0      22.9
      90.0       4.9
     101.0       2.4
     102.0       2.9
     103.0       1.7
     114.0       1.2
     115.0       1.3
     116.0      33.8
     117.0       3.8
     128.0       3.1
     129.0       4.6
     130.0       2.7
     135.0       1.3
     144.0      23.7
     145.0       2.6
     158.0       1.3
     159.0     100.0
     160.0      11.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₉ N O	0.05 ml : 0.5 ml CDCl₃
4-methoxycinnamonitrile

    Assign.     Shift(ppm)

      A             7.766
      B             7.352
      C             7.268
      D             7.009
      E             6.91
      F             6.87
      G             5.675
      J             5.264
      K             3.806
      L             3.803
     
     CIS-TRANS MIXTURE.
     J(D,J)=12.1 HZ
     J(C,G)=16.6 HZ

     Hz     ppm     Int.

   3108.15   7.778    232
   3106.45   7.773     85
   3101.68   7.761     81
   3099.49   7.756    251
   3096.56   7.749     31
   2943.12   7.365    176
   2942.75   7.364    176
   2941.04   7.360     65
   2936.28   7.348     62
   2934.20   7.342    205
   2913.33   7.290    113
   2896.73   7.249    118
   2807.37   7.025    147
   2795.29   6.995    152
   2768.92   6.929     37
   2765.99   6.922    280
   2763.79   6.916     96
   2759.16   6.904    116
   2756.96   6.899    319
   2754.03   6.892    102
   2749.39   6.880     65
   2747.31   6.875    199
   2276.25   5.696    206
   2259.64   5.655    196
   2109.99   5.280    238
   2097.90   5.250    232
   1521.12   3.807   1000
   1519.90   3.804    871

liquid film