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cis-2-Thiocarbamoyl-3-phenyl-2,3,3a,4,5,6-hexahydro-benzo(6,7)cyclohepta(1,2-C)pyrazole
SpectraBase Compound ID 37g64JHk6uk
InChI InChI=1S/C19H19N3S/c20-19(23)22-18(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)17(16)21-22/h1-5,7-9,11,16,18H,6,10,12H2,(H2,20,23)
InChIKey HJBMTSFCVBTNOF-UHFFFAOYSA-N
Mol Weight 321.44 g/mol
Molecular Formula C19H19N3S
Exact Mass 321.129969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yrjtg9SVDp
Name trans-2-Thiocarbamoyl-3-phenyl-2,3,3a,4,5,6-hexahydro-benzo(6,7)cyclohepta(1,2-C)pyrazole
Comments 67.2 MHZ SPECTRUM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H19N3S
InChI InChI=1S/C19H19N3S/c20-19(23)22-18(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)17(16)21-22/h1-5,7-9,11,16,18H,6,10,12H2,(H2,20,23)
InChIKey HJBMTSFCVBTNOF-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference A. Szoelloesy, G. Toth, T. Lorand, J. Chem. Soc. Perkin II 489 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3