89808-01-5

O-PHENETIDINE HYDROCHLORIDE(89808-01-5) ¹³C NMR

Product NameO-PHENETIDINE HYDROCHLORIDE

CAS 89808-01-5

Molecular FormulaC8H12ClNO

Molecular Weight173.64

InChIInChI=1S/C8H11NO.ClH/c1-2-10-8-6-4-3-5-7(8)9;/h3-6H,2,9H2,1H3;1H

InChIKey HODQIPYRQHAZFV-UHFFFAOYSA-N

SmilesC1(OCC)=CC=CC=C1N.Cl

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O-PHENETIDINE HYDROCHLORIDE(89808-01-5) <sup>13</sup>C NMR
Mass

MS-NW-8246          
o-phenetidine hydrochloride
C8H11NO HCl         (Mass of molecular ion:    137)

   Source Temperature: 140 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       3.2
      26.0       1.6
      27.0       9.1
      28.0       7.1
      29.0       3.9
      35.0       4.5
      36.0      34.4
      37.0       1.7
      38.0      11.8
      39.0       7.1
      40.0       1.0
      41.0       2.4
      42.0       1.0
      50.0       2.2
      51.0       5.0
      52.0      10.3
      53.0      17.4
      54.0       3.8
      63.0       3.1
      64.0       3.0
      65.0       9.9
      66.0       2.1
      78.0       1.9
      79.0       2.1
      80.0      71.0
      81.0       7.6
      91.0       2.1
      92.0       5.3
      93.0       2.5
      94.0       1.6
     108.0     100.0
     109.0      65.3
     110.0       4.6
     122.0       2.0
     136.0       1.1
     137.0      81.4
     138.0       8.3

90 MHz in CDCl3

O-PHENETIDINE HYDROCHLORIDE(89808-01-5) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₈ H₁₁ N O	0.051 g : 0.5 ml CDCl₃
o-phenetidine hydrochloride

    Assign.     Shift(ppm)

      A            10.5
      B             7.729
      C             7.300
      D             6.96
      E             6.96
      F             4.142
      G             1.484

     Hz     ppm     Int.

    697.44   7.788    141
    695.56   7.767    149
    689.19   7.696    176
    687.81   7.680    183
    656.31   7.329    163
    655.19   7.316     88
    653.94   7.302     99
    648.56   7.242    152
    646.75   7.222    141
    629.06   7.024    196
    626.38   6.994    195
    625.06   6.980    199
    622.25   6.948    181
    621.31   6.938    118
    618.25   6.904    115
    616.81   6.888    109
    615.00   6.867     89
    381.75   4.263    108
    374.81   4.186    386
    367.81   4.107    416
    360.88   4.030    132
    139.63   1.560    464
    132.69   1.482   1000
    125.69   1.404    400

in CDCl3