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4-(3-Oxo-butyl)-2-cyano-6,7-dimethyl-bicyclo(4.3.0)non-7-en-3-one

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4-(3-Oxo-butyl)-2-cyano-6,7-dimethyl-bicyclo(4.3.0)non-7-en-3-one
SpectraBase Compound ID 87P61iLJiP
InChI InChI=1S/C16H21NO2/c1-11-4-5-13-15(11,3)8-7-14(19)16(13,10-17)9-6-12(2)18/h4,13H,5-9H2,1-3H3
InChIKey VFQSZOMCVLRCNX-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1LJAabDckGk
Name 4-(3-Oxo-butyl)-2-cyano-6,7-dimethyl-bicyclo(4.3.0)non-7-en-3-one
CAS Registry Number 87803-80-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-11-4-5-13-15(11,3)8-7-14(19)16(13,10-17)9-6-12(2)18/h4,13H,5-9H2,1-3H3
InChIKey VFQSZOMCVLRCNX-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference R.V. Stevens, F.C. Gaeta, D.S. Lawrence, J. Am. Chem. Soc. 105, 7713 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3