(S)-1-(4-NITROPHENYL)-ETHYLAMINE(4187-53-5) IR2

Product Name(S)-1-(4-NITROPHENYL)-ETHYLAMINE

CAS 4187-53-5

Molecular FormulaC8H10N2O2

Molecular Weight166.18

InChIInChI=1/C8H10N2O2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-6H,9H2,1H3/t6-/s3

InChIKey RAEVOBPXEHVUFY-ISZMHOAENA-N

Smiles[C@H](C1C=CC(N(=O)=O)=CC=1)(N)C |&1:0,r|

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¹HNMR

IR1

IR2

(S)-1-(4-NITROPHENYL)-ETHYLAMINE(4187-53-5) IR2
Mass

MS-IW-3662          
(S)-(+)-alpha-methyl-4-nitrobenzylamine hydrochloride
C8H10N2O2 HCl       (Mass of molecular ion:    166)

   Source Temperature: 120 °C
   Sample Temperature:  80 °C
   Direct, 75 eV

      18.0       1.4
      28.0       2.5
      35.0       1.4
      36.0      12.5
      38.0       4.2
      39.0       1.4
      42.0       3.8
      43.0       4.6
      44.0       9.9
      50.0       2.6
      51.0       3.4
      52.0       1.4
      63.0       1.2
      65.0       1.2
      66.0       1.0
      74.0       1.1
      75.0       1.1
      76.0       1.9
      77.0       6.4
      78.0       3.9
      91.0       2.0
      93.0       3.9
     103.0       2.6
     104.0       9.4
     105.0      29.2
     106.0       2.5
     107.0       2.1
     118.0       1.7
     119.0       4.9
     121.0       2.0
     151.0     100.0
     152.0       8.6
     165.0       2.3

400 MHz in DMSO-d6

(S)-1-(4-NITROPHENYL)-ETHYLAMINE(4187-53-5) IR2

¹H NMR	399.65 MHz
C₈ H₁₀ N₂ O₂	0.030 g : 0.5 ml DMSO-d₆
(S)-(+)-alpha-methyl-4-nitrobenzylamine hydrochloride

    Assign.     Shift(ppm)

      A             9.00
      B             8.291
      C             7.890
      D             4.604
      E             1.576

     Hz     ppm     Int.

   3615.11   9.046     22
   3593.87   8.993    432
   3573.73   8.943     23
   3320.80   8.310    104
   3318.24   8.303    763
   3316.41   8.299    318
   3311.40   8.286    271
   3309.45   8.281    899
   3159.91   7.907    119
   3157.59   7.901    751
   3150.63   7.884    241
   3148.68   7.879    696
   1850.46   4.631     66
   1843.75   4.614    219
   1836.91   4.597    222
   1830.08   4.580     69
    633.42   1.585   1000
    626.59   1.568    989

KBr disc