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(+/-)-2-[(CARBOXYETHYL)-THIO]-7-CYCLOPROPYL-3-NITRO-4-OXO-4,7-DIHYDROTHIENO-[2,3-B]-PYRIDINE-5-CARBOXYLIC-ACID
SpectraBase Compound ID 8VjmG5ooWya
InChI InChI=1S/C14H12N2O7S2/c1-5(12(18)19)24-14-9(16(22)23)8-10(17)7(13(20)21)4-15(6-2-3-6)11(8)25-14/h4-6H,2-3H2,1H3,(H,18,19)(H,20,21)
InChIKey LYHOGOKFDYDWSG-UHFFFAOYSA-N
Mol Weight 384.38 g/mol
Molecular Formula C14H12N2O7S2
Exact Mass 384.008593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFrVwCjQxeF
Name (+/-)-2-[(CARBOXYETHYL)-THIO]-7-CYCLOPROPYL-3-NITRO-4-OXO-4,7-DIHYDROTHIENO-[2,3-B]-PYRIDINE-5-CARBOXYLIC-ACID
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12N2O7S2
InChI InChI=1S/C14H12N2O7S2/c1-5(12(18)19)24-14-9(16(22)23)8-10(17)7(13(20)21)4-15(6-2-3-6)11(8)25-14/h4-6H,2-3H2,1H3,(H,18,19)(H,20,21)
InChIKey LYHOGOKFDYDWSG-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 384.378 g/mol
Sample ID 57555
Solvent DMSO-D6