For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

CCLCNWYUTMBOKR-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

CCLCNWYUTMBOKR-UHFFFAOYSA-N
SpectraBase Compound ID 6eKJwcLlpdm
InChI InChI=1S/C21H22ClN3O4S/c1-5-29-20(26)19-23-25(14-8-6-13(22)7-9-14)21(2)15-10-16(27-3)17(28-4)11-18(15)30-12-24(19)21/h6-11H,5,12H2,1-4H3
InChIKey CCLCNWYUTMBOKR-UHFFFAOYSA-N
Mol Weight 447.94 g/mol
Molecular Formula C21H22ClN3O4S
Exact Mass 447.101955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1tl0CeYdkhk
Name 1-(4-Chloro-phenyl)-3-ethoxycarbonyl-8,9-dimethoxy-10b-methyl-S-triazolo(4,3-C)-5H-1,3-benzothiazine
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H22ClN3O4S
InChI InChI=1S/C21H22ClN3O4S/c1-5-29-20(26)19-23-25(14-8-6-13(22)7-9-14)21(2)15-10-16(27-3)17(28-4)11-18(15)30-12-24(19)21/h6-11H,5,12H2,1-4H3
InChIKey CCLCNWYUTMBOKR-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