肉桂酸甲酯(103-26-4)Raman光譜

產品名稱:肉桂酸甲酯

CAS:103-26-4

分子式:C10H10O2

分子量: 162.19

InChI:InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3

InChIKey: CCRCUPLGCSFEDV-UHFFFAOYSA-N

Smiles:C(OC)(=O)C=CC1=CC=CC=C1

Mass

MS-NW-1518          
methyl trans-cinnamate
C10H10O2            (Mass of molecular ion:    162)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       4.2
      27.0       2.2
      28.0       1.5
      29.0       1.5
      38.0       1.5
      39.0       4.1
      50.0       9.3
      51.0      27.1
      51.5       3.6
      52.0       3.9
      53.0       1.1
      59.0       1.2
      62.0       2.0
      63.0       5.1
      65.0       1.3
      65.5       1.8
      74.0       4.4
      75.0       4.9
      76.0       6.3
      77.0      39.5
      78.0       4.4
      85.0       1.5
      91.0       4.1
     101.0       1.6
     102.0      14.9
     103.0      63.2
     104.0       7.9
     105.0       1.1
     115.0       1.0
     116.0       1.1
     117.0       3.2
     118.0       1.0
     121.0       1.6
     130.0       2.3
     131.0     100.0
     132.0      10.3
     133.0       1.0
     134.0       1.0
     144.0       1.3
     147.0       1.7
     161.0      17.1
     162.0      52.0
     163.0       5.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₀ O₂	0.051 g : 0.5 ml CDCl₃
methyl trans-cinnamate

    Assign.     Shift(ppm)

      A             3.809
      B             6.450
      C          7.29 to 7.64
      D             7.691

     Hz     ppm     Int.

    681.69   7.612    103
    669.94   7.481     99
    663.94   7.414    145
    663.50   7.409    150
    584.31   6.525    169
    568.25   6.345    120
    341.00   3.808   1000

in CDCl3