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METHYL-4-(4-CHLOROBENZOYL)-1-OXO-1H-PYRIDO-[2,1-B]-BENZOTHIAZOLE-3-CARBOXYLATE
SpectraBase Compound ID 5gRJlD1CWPA
InChI InChI=1S/C20H12ClNO4S/c1-26-20(25)13-10-16(23)22-14-4-2-3-5-15(14)27-19(22)17(13)18(24)11-6-8-12(21)9-7-11/h2-10H,1H3
InChIKey SJUAFZPVNWIQKQ-UHFFFAOYSA-N
Mol Weight 397.83 g/mol
Molecular Formula C20H12ClNO4S
Exact Mass 397.017557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVtyb3F6t7V
Name METHYL-4-(4-CHLOROBENZOYL)-1-OXO-1H-PYRIDO-[2,1-B]-BENZOTHIAZOLE-3-CARBOXYLATE
CAS Registry Number 123150-40-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H12ClNO4S
InChI InChI=1S/C20H12ClNO4S/c1-26-20(25)13-10-16(23)22-14-4-2-3-5-15(14)27-19(22)17(13)18(24)11-6-8-12(21)9-7-11/h2-10H,1H3
InChIKey SJUAFZPVNWIQKQ-UHFFFAOYSA-N
Literature Reference Author Z.T.HUANG,X.SHI
Literature Reference Citation CHEM.BER.,123,541(1990)
Literature Reference DOI 10.1002/cber.19901230321
Molecular Weight 397.833 g/mol
Solvent DMSO-D6
Source File Reference UWED10611