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肉桂酸甲酯(103-26-4)质谱(MS)

产品名称: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
    ChemicalStructure
        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



CCl4 solution



KBr disc



nujol mull



4880 A,200 M,powder



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