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(+/-)-2-[(CARBOXYL-7-CYCLOPROPYL-3-NITRO-4-OXO-4,7-DIHYDROTHIENO-[2,3-B]-PYRIDIN-2-YL)-THIO]-SUCCINIC-ACID
SpectraBase Compound ID CrUHs2mrdIx
InChI InChI=1S/C15H12N2O9S2/c18-8(19)3-7(14(23)24)27-15-10(17(25)26)9-11(20)6(13(21)22)4-16(5-1-2-5)12(9)28-15/h4-5,7H,1-3H2,(H,18,19)(H,21,22)(H,23,24)
InChIKey NKKFYFUDYLQVFR-UHFFFAOYSA-N
Mol Weight 428.39 g/mol
Molecular Formula C15H12N2O9S2
Exact Mass 427.998422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRBGVcbBQBX
Name (+/-)-2-[(CARBOXYL-7-CYCLOPROPYL-3-NITRO-4-OXO-4,7-DIHYDROTHIENO-[2,3-B]-PYRIDIN-2-YL)-THIO]-SUCCINIC-ACID
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H12N2O9S2
InChI InChI=1S/C15H12N2O9S2/c18-8(19)3-7(14(23)24)27-15-10(17(25)26)9-11(20)6(13(21)22)4-16(5-1-2-5)12(9)28-15/h4-5,7H,1-3H2,(H,18,19)(H,21,22)(H,23,24)
InChIKey NKKFYFUDYLQVFR-UHFFFAOYSA-N
Literature Reference Author M.H.AL-HUNITI,M.M.EL-ABADELAH,J.A.ZAHRA,S.S.SABRI,A.INGENDOH
Literature Reference Citation MOLECULES,12,497(2007)
Literature Reference DOI 10.3390/12030497
Molecular Weight 428.388 g/mol
Sample ID 57556
Solvent DMSO-D6