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6-(6'-SULFO-3'-ETHYLBENZOTHIAZOL-2'-YLIDENE-HYDRAZONO)-3-OXO-1,4-CYCLOHEXADIENE-1-CARBOXYLIC-ACID-DISODIUM-SALT
SpectraBase Compound ID 9dhQy43RysI
InChI InChI=1S/C16H13N3O6S2.2Na/c1-2-19-13-6-4-10(27(23,24)25)8-14(13)26-16(19)18-17-12-5-3-9(20)7-11(12)15(21)22;;/h3-8H,2H2,1H3,(H,21,22)(H,23,24,25);;/q;2*+1/p-2/b17-12-,18-16-;;
InChIKey VGQFYJBZMGUJNE-JTBRVVRTSA-L
Mol Weight 451.37853856 g/mol
Molecular Formula C16H11N3Na2O6S2
Exact Mass 450.988466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SCCDqQQJev
Name 6-(6'-SULFO-3'-ETHYLBENZOTHIAZOL-2'-YLIDENE-HYDRAZONO)-3-OXO-1,4-CYCLOHEXADIENE-1-CARBOXYLIC-ACID-DISODIUM-SALT
Compound Number I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H11N3Na2O6S2
InChI InChI=1S/C16H13N3O6S2.2Na/c1-2-19-13-6-4-10(27(23,24)25)8-14(13)26-16(19)18-17-12-5-3-9(20)7-11(12)15(21)22;;/h3-8H,2H2,1H3,(H,21,22)(H,23,24,25);;/q;2*+1/p-2/b17-12-,18-16-;;
InChIKey VGQFYJBZMGUJNE-JTBRVVRTSA-L
Literature Reference Author E.MATSUMURA,E.YAMAMOTO,A.NUMATA,T.KAWANO,T.SHIN,S.MURAO
Literature Reference Citation AGR.BIOL.CHEM.,50,1355(1986)
Literature Reference DOI 10.1271/bbb1961.50.1355
Molecular Weight 451.379 g/mol
Solvent DMSO-D6
Source File Reference UWIR8168