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93-42-5

巯基乙酰萘胺(93-42-5)红外图谱(IR2)

产品名称:巯基乙酰萘胺

CAS:93-42-5

分子式:C12H11NOS

分子量: 217.29

InChI:InChI=1S/C12H11NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14)

InChIKey: SGMHGVVTMOGJMX-UHFFFAOYSA-N

Smiles:C(NC1=CC=C2C(=C1)C=CC=C2)(=O)CS

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    Mass

    MS-IW-3866          
    2-mercapto-N-(2-naphthyl)acetamide
    C12H11NOS           (Mass of molecular ion:    217)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          39.0       1.6
          45.0       1.3
          47.0       6.3
          50.0       1.1
          51.0       1.7
          62.0       1.4
          63.0       3.5
          65.0       1.7
          74.0       1.0
          75.0       1.7
          77.0       2.0
          88.0       1.4
          89.0       3.3
         101.0       1.1
         113.0       2.0
         114.0       3.6
         115.0      29.6
         116.0       6.7
         126.0       2.3
         127.0       9.4
         128.0       2.6
         129.0       1.1
         140.0       3.7
         141.0       3.2
         142.0      11.7
         143.0     100.0
         144.0      14.8
         145.0       1.0
         156.0       2.0
         169.0       6.7
         170.0       4.0
         173.0       3.2
         174.0       6.3
         175.0       1.2
         184.0       4.3
         185.0       2.0
         217.0      72.7
         218.0      10.5
         219.0       4.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C12 H11 N O S 0.040 g : 0.5 ml CDCl3
    2-mercapto-N-(2-naphthyl)acetamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.76 B 8.185 C 7.76 D 7.75 E 7.474 F *1 7.43 G *1 7.39 J 3.379 K 2.038 J(J,K)=9.2HZ

         Hz     ppm     Int.
    

       3501.59   8.762    122
       3272.22   8.188    320
       3270.26   8.183    331
       3104.61   7.769    492
       3101.68   7.761    222
       3101.07   7.760    234
       3100.59   7.759    232
       3099.61   7.756    257
       3095.95   7.747    582
       3092.16   7.738    283
       3091.80   7.737    289
       3086.79   7.724     34
       2992.43   7.488    238
       2990.36   7.483    240
       2983.64   7.466    222
       2981.45   7.461    225
       2979.49   7.456    121
       2978.03   7.452    123
       2972.66   7.439    225
       2971.44   7.436    215
       2970.09   7.432    117
       2967.41   7.426     47
       2964.84   7.419    228
       2963.13   7.415    377
       2961.55   7.411    252
       2959.59   7.406     64
       2956.30   7.398    141
       2954.96   7.394    214
       2953.74   7.391    226
       2948.24   7.378    109
       2946.90   7.374     98
       1355.47   3.392    938
       1346.31   3.369   1000
        823.73   2.062    319
        814.58   2.039    612
        805.42   2.016    291
    

in CDCl3

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KBr disc

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nujol mull

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