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2-Acetyl-5-methyl-4-hexenoic acid ethyl ester
SpectraBase Compound ID 30iAS4i4utJ
InChI InChI=1S/C11H18O3/c1-5-14-11(13)10(9(4)12)7-6-8(2)3/h6,10H,5,7H2,1-4H3
InChIKey JYPWHOZZLIGGIV-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 990MA3rwfex
Name 2-Acetyl-5-methyl-4-hexenoic acid ethyl ester
CAS Registry Number 1845-52-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-5-14-11(13)10(9(4)12)7-6-8(2)3/h6,10H,5,7H2,1-4H3
InChIKey JYPWHOZZLIGGIV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo100779z
Molecular Weight 198.262 g/mol
SMILES CC(=O)C(C(OCC)=O)CC=C(C)C
SPLASH splash10-0a4i-0900000000-1f90789981b0e695cef5
Source of Spectrum J-75-5339-7a
Synonyms 2-Acetyl-5-methyl-hex-4-enoic acid ethyl ester Ethyl 2-acetyl-5-methyl-hex-4-enoate Ethyl 2-Acetyl-5-methylhex-4-enoate Ethyl 2-ethanoyl-5-methyl-hex-4-enoate
Wiley ID 1746602