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acetic acid [4-[(E)-3-ketobut-1-enyl]-3,5,5-trimethyl-1-cyclohex-3-enyl] ester

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acetic acid [4-[(E)-3-ketobut-1-enyl]-3,5,5-trimethyl-1-cyclohex-3-enyl] ester
SpectraBase Compound ID 9umDz4lbTqG
InChI InChI=1S/C15H22O3/c1-10-8-13(18-12(3)17)9-15(4,5)14(10)7-6-11(2)16/h6-7,13H,8-9H2,1-5H3/b7-6+
InChIKey YABVVCNXDNIHRP-VOTSOKGWSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 66k51ysajo5
Name 1-(5-Acetoxy-1,1,3-trimethyl-cyclohex-2-en-2-yl)-but-1-en-3-one
CAS Registry Number 92730-11-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-10-8-13(18-12(3)17)9-15(4,5)14(10)7-6-11(2)16/h6-7,13H,8-9H2,1-5H3/b7-6+
InChIKey YABVVCNXDNIHRP-VOTSOKGWSA-N
Instrument Name Bruker HX-90
Literature Reference G. Englert, Helv. Chim. Acta 58, 2367 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3