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CMBDILPGXOITRN-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

CMBDILPGXOITRN-UHFFFAOYSA-N
SpectraBase Compound ID 30YIONi3cAX
InChI InChI=1S/C24H21ClN4O4S/c1-24-19-12-20(32-2)21(33-3)13-22(19)34-14-27(24)23(15-4-6-16(25)7-5-15)26-28(24)17-8-10-18(11-9-17)29(30)31/h4-13H,14H2,1-3H3
InChIKey CMBDILPGXOITRN-UHFFFAOYSA-N
Mol Weight 496.97 g/mol
Molecular Formula C24H21ClN4O4S
Exact Mass 496.097204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yPujQbupmM
Name 3-(4-Chloro-phenyl)-8,9-dimethoxy-10b-methyl-1-(4-nitro-phenyl)-S-triazolo(4,3-C)-5H-1,3-benzothiazine
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C24H21ClN4O4S
InChI InChI=1S/C24H21ClN4O4S/c1-24-19-12-20(32-2)21(33-3)13-22(19)34-14-27(24)23(15-4-6-16(25)7-5-15)26-28(24)17-8-10-18(11-9-17)29(30)31/h4-13H,14H2,1-3H3
InChIKey CMBDILPGXOITRN-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference P. Sohar, L. Fodor, J. Szabo, G. Bernath, Org. Magn. Resonance 22, 720 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3