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trans-3-Phenyl-2,3,3a,4,5,6-hexahydro-benzo(6,7)cyclohepta(1,2-C)pyrazole

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trans-3-Phenyl-2,3,3a,4,5,6-hexahydro-benzo(6,7)cyclohepta(1,2-C)pyrazole
SpectraBase Compound ID EXHARXUhkoZ
InChI InChI=1S/C18H18N2/c1-2-8-14(9-3-1)17-16-12-6-10-13-7-4-5-11-15(13)18(16)20-19-17/h1-5,7-9,11,16-17,19H,6,10,12H2
InChIKey XNFYNKMJEGVCMW-UHFFFAOYSA-N
Mol Weight 262.36 g/mol
Molecular Formula C18H18N2
Exact Mass 262.146999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4j9h3yBFCF8
Name trans-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 C18H18N2
InChI InChI=1S/C18H18N2/c1-2-8-14(9-3-1)17-16-12-6-10-13-7-4-5-11-15(13)18(16)20-19-17/h1-5,7-9,11,16-17,19H,6,10,12H2
InChIKey XNFYNKMJEGVCMW-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