4-Benzyloxyaniline hydrochloride(51388-20-6) MS

Product Name4-Benzyloxyaniline hydrochloride

CAS 51388-20-6

Molecular FormulaC13H14ClNO

Molecular Weight235.71

InChIInChI=1S/C13H13NO.ClH/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H

InChIKey KQBDLOVXZHOAJI-UHFFFAOYSA-N

SmilesC1(=CC=C(N)C=C1)OCC1=CC=CC=C1.Cl

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Mass

MS-NW-6863          
p-(benzyloxy)aniline hydrochloride
C13H13NO HCl        (Mass of molecular ion:    199)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      27.0       1.0
      28.0       1.2
      35.0       1.0
      36.0       9.9
      38.0       3.3
      39.0       3.1
      41.0       1.1
      51.0       1.7
      52.0       2.0
      53.0       3.6
      54.0       1.0
      63.0       1.5
      65.0       7.1
      80.0       8.7
      89.0       1.1
      91.0      31.4
      92.0       2.7
     108.0     100.0
     109.0       7.5
     199.0      34.8
     200.0       5.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₃ N O	0.036 g : 0.5 ml DMSO-d₆
p-(benzyloxy)aniline hydrochloride

    Assign.     Shift(ppm)

      A            10.4
      B             7.453
      C             7.40
      D             7.37
      E             7.33
      F             7.121
      G             5.128

     Hz     ppm     Int.

   4157.51  10.403    129
   2983.60   7.466    206
   2982.13   7.462    281
   2975.17   7.445    485
   2968.03   7.427     31
   2963.82   7.417    204
   2962.90   7.414    286
   2960.89   7.409    113
   2955.76   7.396    528
   2954.29   7.393    249
   2952.09   7.387    117
   2948.61   7.378    766
   2946.42   7.373    252
   2941.84   7.362    227
   2939.64   7.356    755
   2938.17   7.352    296
   2936.53   7.348    192
   2933.41   7.340     95
   2930.85   7.334    227
   2928.10   7.327     62
   2924.99   7.319     50
   2923.70   7.316     70
   2853.73   7.141     80
   2850.44   7.133    621
   2848.24   7.127    204
   2843.48   7.115    180
   2841.46   7.110    518
   2837.98   7.102     61
   2049.45   5.129   1000

KBr disc