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返回ChemicalBook首页>CAS数据库列表>4187-53-5更多图谱> (S)-4-硝基-Α-甲基苄基胺(4187-53-5)红外图谱(IR2)

4187-53-5

(S)-4-硝基-Α-甲基苄基胺(4187-53-5)红外图谱(IR2)

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|

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    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

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

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nujol mull

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