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METHYL-4-(4-METHYLBENZOYL)-1-OXO-1H-PYRIDO-[2,1-B]-BENZOTHIAZOLE-3-CARBOXYLATE
SpectraBase Compound ID 2SuFzP44UOl
InChI InChI=1S/C21H15NO4S/c1-12-7-9-13(10-8-12)19(24)18-14(21(25)26-2)11-17(23)22-15-5-3-4-6-16(15)27-20(18)22/h3-11H,1-2H3
InChIKey BYPBKSQKRHYLIC-UHFFFAOYSA-N
Mol Weight 377.41 g/mol
Molecular Formula C21H15NO4S
Exact Mass 377.072179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7p7cFFkWlHw
Name METHYL-4-(4-METHYLBENZOYL)-1-OXO-1H-PYRIDO-[2,1-B]-BENZOTHIAZOLE-3-CARBOXYLATE
CAS Registry Number 123150-38-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15NO4S
InChI InChI=1S/C21H15NO4S/c1-12-7-9-13(10-8-12)19(24)18-14(21(25)26-2)11-17(23)22-15-5-3-4-6-16(15)27-20(18)22/h3-11H,1-2H3
InChIKey BYPBKSQKRHYLIC-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 377.414 g/mol
Solvent DMSO-D6
Source File Reference UWED10609