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103-26-4

肉桂酸甲酯(103-26-4)红外图谱(IR1)

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

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    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

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    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

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,200 M,powder

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