104-57-4

Benzyl formate(104-57-4) IR2

Product NameBenzyl formate

CAS 104-57-4

Molecular FormulaC8H8O2

Molecular Weight136.15

InChIInChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2

InChIKey UYWQUFXKFGHYNT-UHFFFAOYSA-N

SmilesC(OCC1=CC=CC=C1)=O

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Benzyl formate(104-57-4) IR2
Mass

MS-NW-8492          
benzyl formate
C8H8O2              (Mass of molecular ion:    136)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      26.0       1.1
      27.0       5.6
      28.0       2.4
      29.0       9.2
      31.0       3.1
      37.0       1.7
      38.0       4.6
      39.0      20.9
      40.0       1.7
      41.0       3.7
      44.0       1.2
      49.0       1.0
      50.0      11.2
      51.0      25.7
      52.0       6.9
      53.0       3.3
      61.0       1.6
      62.0       4.6
      63.0      12.0
      64.0       3.6
      65.0      27.8
      66.0       1.7
      74.0       2.6
      75.0       1.7
      76.0       1.7
      77.0      32.9
      78.0       7.0
      79.0      41.7
      80.0       4.9
      89.0      21.9
      90.0      76.2
      91.0     100.0
      92.0       8.3
     105.0       3.2
     107.0      31.0
     108.0      38.8
     109.0       3.0
     136.0      48.6
     137.0       4.3

90 MHz in CDCl3

Benzyl formate(104-57-4) IR2

¹H NMR	89.56 MHz
C₈ H₈ O₂	0.04 ml : 0.5 ml CDCl₃
benzyl formate

    Assign.     Shift(ppm)

      A             8.115
      B             7.35
      C             5.188
     
     J(A,C)=0.9HZ

     Hz     ppm     Int.

    727.77   8.127    134
    726.83   8.116    273
    725.89   8.106    136
    658.47   7.353   1000
    465.19   5.195    265
    464.25   5.184    273

in CDCl3