22038-87-5

(R)-1-(4-硝基-苯基)乙基胺(22038-87-5)质谱(MS)

产品名称:(R)-1-(4-硝基-苯基)乙基胺

CAS:22038-87-5

分子式:C8H10N2O2

分子量: 166.18

InChI:InChI=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|

Mass

MS-IW-3639          
(R)-(-)-alpha-methyl-4-nitrobenzylamine hydrochloride
C8H10N2O2 HCl       (Mass of molecular ion:    166)

   Source Temperature: 110 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      18.0       1.3
      28.0       2.5
      35.0       1.3
      36.0      13.0
      38.0       4.3
      39.0       1.3
      42.0       3.6
      43.0       4.6
      44.0       9.7
      50.0       2.4
      51.0       3.2
      52.0       1.4
      63.0       1.1
      65.0       1.1
      66.0       1.0
      74.0       1.0
      75.0       1.0
      76.0       1.8
      77.0       6.2
      78.0       3.7
      91.0       1.9
      93.0       3.9
     103.0       2.4
     104.0       9.0
     105.0      28.7
     106.0       2.5
     107.0       2.1
     118.0       1.6
     119.0       4.9
     121.0       2.0
     151.0     100.0
     152.0       8.5
     165.0       2.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₁₀ N₂ O₂	0.037 g : 0.5 ml DMSO-d₆
(R)-(-)-alpha-methyl-4-nitrobenzylamine hydrochloride

    Assign.     Shift(ppm)

      A             9.00
      B             8.281
      C             7.898
      D             4.604
      E             1.588

     Hz     ppm     Int.

   3598.33   9.004    491
   3316.80   8.300     96
   3314.21   8.293    689
   3312.38   8.289    309
   3307.34   8.276    260
   3305.36   8.271    828
   3163.15   7.915    112
   3160.86   7.910    700
   3153.84   7.892    237
   3152.01   7.887    657
   1850.28   4.630     72
   1843.41   4.613    237
   1836.70   4.596    241
   1829.83   4.579     74
    637.97   1.597    995
    631.26   1.580   1000

in DMSO-d6