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cis-3-H,3a-H-2-Thiocarbamoyl-3,4-diphenyl-2,3,3A ,4-tetrahydro(1)benzothiapyrano(4,3-C)pyrazole
SpectraBase Compound ID GcO97GfQsnS
InChI InChI=1S/C23H19N3S2/c24-23(27)26-21(15-9-3-1-4-10-15)19-20(25-26)17-13-7-8-14-18(17)28-22(19)16-11-5-2-6-12-16/h1-14,19,21-22H,(H2,24,27)
InChIKey DDPZFZFGEYNEQY-UHFFFAOYSA-N
Mol Weight 401.55 g/mol
Molecular Formula C23H19N3S2
Exact Mass 401.10204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JVrLGP6JxI6
Name cis-3-H,3a-H-2-Thiocarbamoyl-3,4-diphenyl-2,3,3A ,4-tetrahydro(1)benzothiapyrano(4,3-C)pyrazole
Comments BRUKER AM-400 OR AC-250 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H19N3S2
InChI InChI=1S/C23H19N3S2/c24-23(27)26-21(15-9-3-1-4-10-15)19-20(25-26)17-13-7-8-14-18(17)28-22(19)16-11-5-2-6-12-16/h1-14,19,21-22H,(H2,24,27)
InChIKey DDPZFZFGEYNEQY-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference G. Toth, A. Szoelloesy, T. Lorand, J. Chem. Soc. Perkin II 319 (1989).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6