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860-22-0

酸性蓝 74(860-22-0)核磁图(1HNMR)

产品名称:酸性蓝 74

CAS:860-22-0

分子式:C16H11N2NaO8S2

分子量: 446.38

InChI:InChI=1S/C16H10N2O8S2.Na.H/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;

InChIKey: ZXAVLMDMGIWZIO-UHFFFAOYSA-N

Smiles:O=C1C2C=C(S(O)(=O)=O)C=CC=2NC1=C1NC2C=CC(S(O)(=O)=O)=CC=2C1=O.[NaH]

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C16 H8 N2 Na2 O8 S2 saturated in DMSO-d6
    indigo carmine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.7 B 7.827 C 7.779 D 7.280

         Hz     ppm     Int.
    

       4273.53  10.694     29
       4263.91  10.670    552
       4253.69  10.644     23
       3137.97   7.852     26
       3130.95   7.835    232
       3129.12   7.830    962
       3127.75   7.827   1000
       3121.49   7.811     30
       3114.47   7.793    783
       3112.64   7.789    578
       3109.28   7.781     65
       3106.08   7.773    822
       3104.25   7.768    742
       2914.12   7.292    819
       2913.67   7.291    797
       2909.39   7.280     60
       2905.73   7.271    787
       2905.12   7.270    787
    

in DMSO-d6

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KBr disc

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nujol mull

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