26177-43-5

3-硝基苄胺盐酸盐(26177-43-5)Raman光谱

产品名称:3-硝基苄胺盐酸盐

CAS:26177-43-5

分子式:C7H8N2O2.ClH

分子量: 188.61

InChI:InChI=1S/C7H8N2O2.ClH/c8-5-6-2-1-3-7(4-6)9(10)11;/h1-4H,5,8H2;1H

InChIKey: DLZXLCHQWOZGSE-UHFFFAOYSA-N

Smiles:C1([N+]([O-])=O)C=CC=C(CN)C=1.Cl

Mass

MS-NW-7672          
3-nitrobenzylamine hydrochloride
C7H8N2O2 HCl        (Mass of molecular ion:    152)

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

      18.0       1.1
      26.0       1.0
      27.0       3.7
      28.0      25.0
      29.0      12.0
      30.0     100.0
      31.0       1.5
      35.0       7.3
      36.0      25.9
      37.0       2.6
      38.0       8.3
      39.0       8.9
      40.0       1.5
      41.0       1.8
      46.0       1.2
      50.0      14.1
      51.0      18.9
      52.0       6.8
      53.0       2.3
      54.0       2.8
      61.0       1.2
      62.0       3.2
      63.0       9.8
      64.0       2.6
      65.0       2.2
      66.0       2.3
      67.0       1.6
      74.0       4.5
      75.0       3.7
      76.0       7.5
      77.0      48.7
      78.0      15.3
      79.0       9.3
      80.0       1.3
      89.0      10.6
      90.0       5.4
      91.0       2.4
      93.0       3.1
      94.0       1.7
     103.0       1.3
     104.0      14.8
     105.0      27.9
     106.0      18.4
     107.0      73.4
     108.0      10.2
     116.0       1.4
     124.0       1.2
     125.0       1.4
     135.0       1.5
     136.0       1.5
     151.0      11.1
     152.0       2.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₈ N₂ O₂	0.038 g : 0.5 ml DMSO-d₆
3-nitrobenzylamine hydrochloride

    Assign.     Shift(ppm)

      A             8.87
      B             8.500
      C             8.238
      D             8.053
      E             7.734
      F             4.209

     Hz     ppm     Int.

   3546.75   8.875    370
   3397.06   8.501    516
   3297.27   8.251    247
   3295.75   8.247    232
   3289.03   8.230    261
   3287.51   8.226    251
   3221.74   8.062    284
   3213.96   8.042    318
   3098.75   7.754    314
   3090.82   7.734    498
   3082.89   7.714    261
   1682.28   4.210   1000

in DMSO-d6