m-(1-Cyanoethyl)benzoic acid(5537-71-3) ¹H NMR

Product Namem-(1-Cyanoethyl)benzoic acid

CAS 5537-71-3

Molecular FormulaC10H9NO2

Molecular Weight175.18

InChIInChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)

InChIKey IRYIYPWRXROPSX-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC=CC(C(C#N)C)=C1

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¹HNMR

IR1

IR2

Mass

MS-IW-1547          
m-(1-cyanoethyl)benzoic acid
C10H9NO2            (Mass of molecular ion:    175)

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

      18.0       1.4
      27.0       2.7
      28.0       1.5
      38.0       1.5
      39.0       5.5
      45.0       2.2
      50.0       6.1
      51.0       9.3
      52.0       2.1
      53.0       1.3
      62.0       2.7
      63.0       4.5
      64.0       1.7
      65.0       3.4
      74.0       2.6
      75.0       3.8
      76.0       3.8
      77.0      15.9
      78.0       3.9
      79.0       1.2
      87.0       1.3
      88.0       2.7
      89.0       3.0
      91.0       1.5
     101.0       2.1
     102.0       4.3
     103.0      15.7
     104.0      12.9
     105.0       4.9
     114.0       2.9
     115.0       5.6
     116.0      38.1
     117.0       3.8
     128.0       3.0
     129.0       5.9
     130.0      33.2
     131.0      25.4
     132.0       5.2
     133.0       5.1
     143.0       3.4
     147.0       1.1
     148.0       2.3
     149.0       1.3
     156.0       2.1
     157.0      15.8
     158.0      10.2
     159.0       1.1
     160.0      82.4
     161.0       9.0
     174.0       1.9
     175.0     100.0
     176.0      11.6
     177.0       1.0