104-62-1

甲酸-2-苯乙酯(104-62-1)質(zhì)譜(MS)

產(chǎn)品名稱:甲酸-2-苯乙酯

CAS:104-62-1

分子式:C9H10O2

分子量: 150.17

InChI:InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2

InChIKey: IKDIJXDZEYHZSD-UHFFFAOYSA-N

Smiles:C(OCCC1=CC=CC=C1)=O

Mass

MS-IW-8663          
phenethyl formate
C9H10O2             (Mass of molecular ion:    150)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.3
      29.0       1.5
      31.0       3.9
      39.0       4.6
      41.0       1.1
      50.0       2.1
      51.0       5.7
      52.0       1.3
      63.0       2.8
      65.0      11.0
      77.0       7.4
      78.0       6.2
      79.0       3.1
      89.0       2.0
      91.0      67.8
      92.0      12.6
     103.0       7.2
     104.0     100.0
     105.0      13.0
     122.0       3.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₂	0.04 ml : 0.5 ml CDCl₃
phenethyl formate

    Assign.     Shift(ppm)

      A             8.000
      B          7.44 to 7.04
      C             4.368
      D             2.959

     Hz     ppm     Int.

    718.00   8.017     86
    717.19   8.008    250
    716.63   8.002    396
    716.13   7.997    272
    663.06   7.404     32
    661.50   7.387     39
    658.81   7.357     48
    656.81   7.334     46
    654.31   7.306    101
    653.69   7.299    137
    652.94   7.291    131
    649.94   7.258   1000
    648.56   7.242    840
    646.50   7.219    241
    646.00   7.214    167
    644.00   7.191     79
    643.25   7.183     97
    640.38   7.151     53
    639.56   7.142     35
    635.31   7.094     30
    398.88   4.454    166
    398.44   4.449    171
    398.06   4.445    155
    391.88   4.376    434
    391.44   4.371    333
    391.06   4.367    407
    384.94   4.299    207
    384.38   4.292    213
    271.56   3.033    220
    264.63   2.955    380
    257.69   2.878    174

in CDCl3