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4-(3,3-[2,2-Dimethyl-propylendioxy]-butyl)-2-cyano-6,7-dimethyl-bicyclo(4.3.0)non-7-en-3-one

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4-(3,3-[2,2-Dimethyl-propylendioxy]-butyl)-2-cyano-6,7-dimethyl-bicyclo(4.3.0)non-7-en-3-one
SpectraBase Compound ID 5ktPn25i6ae
InChI InChI=1S/C21H31NO3/c1-15-6-7-16-19(15,4)9-8-17(23)21(16,12-22)11-10-20(5)24-13-18(2,3)14-25-20/h6,16H,7-11,13-14H2,1-5H3
InChIKey YFXXUDYGSRLJGD-UHFFFAOYSA-N
Mol Weight 345.48 g/mol
Molecular Formula C21H31NO3
Exact Mass 345.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLZQPbEaTHJ
Name 4-(3,3-[2,2-Dimethyl-propylendioxy]-butyl)-2-cyano-6,7-dimethyl-bicyclo(4.3.0)non-7-en-3-one
CAS Registry Number 87803-81-4
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H31NO3
InChI InChI=1S/C21H31NO3/c1-15-6-7-16-19(15,4)9-8-17(23)21(16,12-22)11-10-20(5)24-13-18(2,3)14-25-20/h6,16H,7-11,13-14H2,1-5H3
InChIKey YFXXUDYGSRLJGD-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