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tert-Butyl-3-cyano-6-methyl-trans-3,5-heptadienoate
SpectraBase Compound ID BnhiNkgmOBK
InChI InChI=1S/C13H19NO2/c1-10(2)6-7-11(9-14)8-12(15)16-13(3,4)5/h6-7H,8H2,1-5H3/b11-7-
InChIKey GCVHYWASNAPKOO-XFFZJAGNSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8yY6XIxzmL
Name tert-Butyl-3-cyano-6-methyl-trans-3,5-heptadienoate
CAS Registry Number 59463-26-2
Comments DETERMINED FROM MIXTURE OF CIS- AND TRANS-ISOMERS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-10(2)6-7-11(9-14)8-12(15)16-13(3,4)5/h6-7H,8H2,1-5H3/b11-7-
InChIKey GCVHYWASNAPKOO-XFFZJAGNSA-N
Instrument Name Bruker HX-90
Literature Reference J.K. Stille, T.A. Rettig, E.W. Kuemmerle, J. Org. Chem. 41, 2950 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3