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(+/-)-3-(CARBOXYMETHYL)-6-CYCLOPROPYL-2,9-DIOXO-2,3,6,9-TETRAHYDRO-1H-PYRIDO-[3',2':4,5]-THIENO-[2,3-B]-[1,4]-THIAZINE-8-CARBOXYLIC-ACID

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(+/-)-3-(CARBOXYMETHYL)-6-CYCLOPROPYL-2,9-DIOXO-2,3,6,9-TETRAHYDRO-1H-PYRIDO-[3',2':4,5]-THIENO-[2,3-B]-[1,4]-THIAZINE-8-CARBOXYLIC-ACID
SpectraBase Compound ID 1HErdQjqxF8
InChI InChI=1S/C15H12N2O6S2/c18-8(19)3-7-12(21)16-10-9-11(20)6(14(22)23)4-17(5-1-2-5)13(9)25-15(10)24-7/h4-5,7H,1-3H2,(H,16,21)(H,18,19)(H,22,23)
InChIKey FHIDBQCGFCJCKE-UHFFFAOYSA-N
Mol Weight 380.39 g/mol
Molecular Formula C15H12N2O6S2
Exact Mass 380.013678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 837v7H0Lvko
Name (+/-)-3-(CARBOXYMETHYL)-6-CYCLOPROPYL-2,9-DIOXO-2,3,6,9-TETRAHYDRO-1H-PYRIDO-[3',2':4,5]-THIENO-[2,3-B]-[1,4]-THIAZINE-8-CARBOXYLIC-ACID
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H12N2O6S2
InChI InChI=1S/C15H12N2O6S2/c18-8(19)3-7-12(21)16-10-9-11(20)6(14(22)23)4-17(5-1-2-5)13(9)25-15(10)24-7/h4-5,7H,1-3H2,(H,16,21)(H,18,19)(H,22,23)
InChIKey FHIDBQCGFCJCKE-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 380.390 g/mol
Sample ID 57559
Solvent DMSO-D6