53941-45-0

2-PHENYLGLYCINONITRILE HYDROCHLORIDE(53941-45-0) IR1

Product Name2-PHENYLGLYCINONITRILE HYDROCHLORIDE

CAS 53941-45-0

Molecular FormulaC8H9ClN2

Molecular Weight168.62

InChIInChI=1/C8H8N2.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5,8H,10H2;1H/t8-;/s3

InChIKey OGSYCVCLXAFDNE-JNODIIHCNA-N

SmilesC(#N)[C@H](C1=CC=CC=C1)N.[H]Cl |&1:2,r|

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¹HNMR

IR1

IR2

2-PHENYLGLYCINONITRILE HYDROCHLORIDE(53941-45-0) IR1
Mass

MS-NW-7381          
alpha-aminophenylacetonitrile hydrochloride
C8H8N2 HCl          (Mass of molecular ion:    132)

   Source Temperature: 170 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      26.0       1.4
      27.0       6.1
      28.0      11.6
      29.0       2.9
      30.0       1.6
      35.0       5.4
      36.0      26.7
      37.0       2.9
      38.0       8.7
      39.0       8.4
      49.0       1.7
      50.0      16.8
      51.0      29.7
      52.0      10.3
      53.0       8.2
      54.0       3.2
      55.0      14.3
      61.0       2.0
      62.0       4.3
      63.0       8.2
      64.0       2.8
      65.0       2.8
      66.0       1.3
      73.0       1.9
      74.0       6.0
      75.0       4.5
      76.0       6.4
      77.0      43.1
      78.0      30.0
      79.0      32.7
      80.0       2.6
      87.0       1.4
      88.0       3.1
      89.0      11.9
      90.0       3.0
     102.0       1.2
     103.0       2.9
     104.0      56.0
     105.0      32.7
     106.0      21.7
     107.0       2.7
     114.0       3.3
     115.0      14.4
     116.0      31.7
     117.0       3.4
     131.0     100.0
     132.0      90.2
     133.0       9.2

400 MHz in DMSO-d6

2-PHENYLGLYCINONITRILE HYDROCHLORIDE(53941-45-0) IR1

¹H NMR	399.65 MHz
C₈ H₈ N₂	0.040 g : 0.5 ml DMSO-d₆
alpha-aminophenylacetonitrile hydrochloride

    Assign.     Shift(ppm)

      A             9.95
      B             7.750
      C             7.53
      D             6.038

     Hz     ppm     Int.

   3978.93   9.957    122
   3107.79   7.777     35
   3102.66   7.764    351
   3100.28   7.758    231
   3099.18   7.755    361
   3098.08   7.752    392
   3094.96   7.745    451
   3092.95   7.740    429
   3089.10   7.730     70
   3021.70   7.561     59
   3020.78   7.559     57
   3019.87   7.557     50
   3015.47   7.546    189
   3014.00   7.542    196
   3011.99   7.537    617
   3010.71   7.534    564
   3007.41   7.526    895
   3005.21   7.520   1000
   3001.18   7.510    125
   2998.99   7.505     42
   2997.52   7.501     58
   2995.32   7.495     67
   2993.49   7.491     74
   2413.40   6.039    943

KBr disc

nujol mull

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