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1210-83-9

N-乙酰-5-羟色胺(1210-83-9)红外图谱(IR1)

产品名称:N-乙酰-5-羟色胺

CAS:1210-83-9

分子式:C12H14N2O2

分子量: 218.25

InChI:InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)

InChIKey: MVAWJSIDNICKHF-UHFFFAOYSA-N

Smiles:C(NCCC1C2=C(NC=1)C=CC(O)=C2)(=O)C

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    Mass

    MS-IW-2418          
    N-acetyl-5-hydroxytryptamine
    C12H14N2O2          (Mass of molecular ion:    218)
    

       Source Temperature: 130 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          28.0       1.7
          30.0       4.9
          39.0       1.1
          43.0       4.6
          51.0       1.0
          63.0       1.4
          65.0       2.9
          77.0       1.4
          89.0       2.2
          90.0       1.8
          91.0       4.8
         117.0       4.9
         118.0       3.2
         128.0       1.3
         130.0       2.3
         131.0       1.8
         133.0       1.4
         145.0       3.7
         146.0      93.5
         147.0      10.4
         148.0       1.2
         158.0       3.5
         159.0     100.0
         160.0      11.9
         161.0       1.0
         175.0       2.4
         218.0      28.7
         219.0       4.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C12 H14 N2 O2 0.038 g : 0.5 ml DMSO-d6
    N-acetyl-5-hydroxytryptamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.49 B 8.62 C 7.94 D 7.130 E 7.041 F 6.835 G 6.604 J 3.287 K 2.723 L 1.820 J(A,E)=2.4HZ J(C,J)=5.2HZ J(D,G)=8.6HZ J(F,G)=2.4HZ

         Hz     ppm     Int.
    

       4191.21  10.488     86
       4189.93  10.485     88
       3443.35   8.616    420
       3177.57   7.951     35
       3172.08   7.938     67
       3166.58   7.924     37
       2854.10   7.142    163
       2845.49   7.120    179
       2815.27   7.045    139
       2812.89   7.039    140
       2733.03   6.839    156
       2730.65   6.833    163
       2644.74   6.618    103
       2642.36   6.612     99
       2636.13   6.597     97
       2633.75   6.591     95
       1324.66   3.315     51
       1317.70   3.298     98
       1311.47   3.282     95
       1310.19   3.279     97
       1303.96   3.263     60
       1095.89   2.743    101
       1088.19   2.723    148
       1080.87   2.705     91
        727.72   1.821   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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