2-甲基-3-苯基丙烯酸(1199-77-5)質(zhì)譜(MS)

產(chǎn)品名稱:2-甲基-3-苯基丙烯酸

CAS:1199-77-5

分子式:C10H10O2

分子量: 162.19

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

InChIKey: XNCRUNXWPDJHGV-UHFFFAOYSA-N

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

Mass

MS-NW-6685          
alpha-methylcinnamic acid
C10H10O2            (Mass of molecular ion:    162)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.0
      26.0       1.0
      27.0       4.7
      28.0       1.9
      37.0       1.1
      38.0       3.0
      39.0      20.3
      40.0       1.8
      41.0       2.3
      43.0       3.7
      45.0       4.3
      50.0       7.7
      51.0      16.4
      52.0       3.1
      53.0       1.2
      55.0       2.2
      56.0       5.1
      57.0       2.1
      57.5       7.1
      58.0       3.8
      61.0       1.5
      62.0       4.7
      63.0      12.2
      64.0       2.2
      65.0      11.1
      66.0       1.3
      74.0       3.0
      75.0       3.3
      76.0       2.6
      77.0       9.4
      78.0       5.8
      79.0       9.2
      85.0       1.7
      86.0       1.5
      87.0       1.8
      88.0       1.0
      89.0       8.2
      90.0       1.8
      91.0      31.2
      92.0       3.0
      94.0       1.0
     102.0       3.6
     103.0       2.3
     105.0       4.9
     107.0       8.9
     114.0       1.6
     115.0      63.7
     116.0      79.0
     117.0      59.6
     118.0       6.1
     119.0       2.0
     133.0       3.2
     134.0       1.7
     143.0       2.3
     144.0       4.4
     145.0       4.2
     147.0       3.6
     161.0      34.5
     162.0     100.0
     163.0       9.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₀ O₂	0.042 g : 0.5 ml CDCl₃
alpha-methylcinnamic acid

    Assign.     Shift(ppm)

      A            12.30
      B             7.840
      C          7.57 to 7.23
      D             2.147
     
     J(B,D)=-1.5HZ.

     Hz     ppm     Int.

   1101.70  12.302     51
    704.36   7.865     57
    702.99   7.850    177
    701.54   7.834    181
    700.09   7.817     68
    677.01   7.560     30
    669.24   7.473     79
    665.48   7.431    140
    662.57   7.399    871
    659.58   7.365    199
    657.53   7.342     72
    655.91   7.324     40
    654.88   7.313     38
    654.20   7.305     42
    652.75   7.289     24
    648.22   7.238     26
    193.03   2.156    980
    191.58   2.140   1000

in CDCl3