104-47-2

4-Methoxybenzyl cyanide(104-47-2) MS

Product Name4-Methoxybenzyl cyanide

CAS 104-47-2

Molecular FormulaC9H9NO

Molecular Weight147.17

InChIInChI=1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3

InChIKey PACGLQCRGWFBJH-UHFFFAOYSA-N

SmilesC1(CC#N)=CC=C(OC)C=C1

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4-Methoxybenzyl cyanide(104-47-2) MS
Mass

MS-NW-6666          
p-methoxyphenylacetonitrile
C9H9NO              (Mass of molecular ion:    147)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       2.4
      26.0       1.4
      27.0       3.0
      28.0       1.6
      29.0       1.1
      37.0       1.4
      38.0       3.1
      39.0       6.5
      41.0       1.4
      50.0       8.1
      51.0      13.6
      52.0       4.2
      53.0       1.5
      61.0       1.3
      62.0       3.3
      63.0       8.3
      64.0       3.8
      65.0       2.6
      74.0       1.9
      75.0       3.0
      76.0       6.6
      77.0      31.9
      78.0       8.7
      79.0       2.5
      88.0       1.3
      89.0       7.1
      90.0       6.5
      91.0       9.1
      92.0       3.4
     102.0       3.4
     103.0       4.2
     104.0      14.9
     105.0       2.8
     106.0       1.2
     107.0      15.8
     108.0       1.4
     115.0       1.1
     116.0      17.5
     117.0       8.0
     118.0       3.6
     119.0       3.5
     120.0       5.8
     121.0       6.9
     132.0      27.0
     133.0       2.8
     146.0      35.7
     147.0     100.0
     148.0      10.4
     177.0       1.0

90 MHz in CDCl3

4-Methoxybenzyl cyanide(104-47-2) MS

¹H NMR	89.56 MHz
C₉ H₉ N O	0.05 ml : 0.5 ml CDCl₃
p-methoxyphenylacetonitrile

    Assign.     Shift(ppm)

      A             7.207
      B             6.883
      C             3.773
      D             3.641

     Hz     ppm     Int.

    653.13   7.293     24
    650.38   7.262    127
    649.69   7.255    109
    648.13   7.237     53
    643.81   7.189     73
    641.50   7.163    196
    639.31   7.139     35
    638.75   7.133     36
    622.31   6.949     49
    619.56   6.918    256
    617.25   6.893     73
    612.88   6.844     63
    610.75   6.820    137
    338.13   3.776   1000
    333.19   3.721     25
    326.25   3.643    380

in CDCl3