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62625-29-0

甲酚红(62625-29-0)核磁图(1HNMR)

产品名称:甲酚红

CAS:62625-29-0

分子式:C21H19NaO5S

分子量: 406.43

InChI:InChI=1S/C21H18O5S.Na/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26;/h3-12,22H,1-2H3,(H,24,25,26);/q;+1/p-1/b21-16-;

InChIKey: GBXGEGUVARLBPB-PLMZOXRSSA-M

Smiles:C(=C1/C=CC(=O)C(C)=C/1)(/C1C=CC(O)=C(C)C=1)\C1C=CC=CC=1S([O-])(=O)=O.[Na+]

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        Assign.     Shift(ppm)
    A 8.001 B 7.489 C 7.240 D 7.084 E 7.05 F 6.679 G 6.555 K 1.924 THE SOLVENT SIGNAL REMOVED.
    Spectral Code: 1H NMR : 400 MHz in D2O

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    Spectral Code: IR : KBr disc

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