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5-Heptenoic acid, 4-acetyl-6-methyl-, methyl ester, (.+-.)-
SpectraBase Compound ID 5T4VxyUA3xk
InChI InChI=1S/C11H18O3/c1-8(2)7-10(9(3)12)5-6-11(13)14-4/h7,10H,5-6H2,1-4H3
InChIKey ISWMZJHPUBXMGE-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 Bx35pwbnRrh
Name 5-Heptenoic acid, 4-acetyl-6-methyl-, methyl ester, (.+-.)-
CAS Registry Number 131134-63-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-8(2)7-10(9(3)12)5-6-11(13)14-4/h7,10H,5-6H2,1-4H3
InChIKey ISWMZJHPUBXMGE-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES C(C(C(=O)C)CCC(=O)OC)=C(C)C
SPLASH splash10-059t-6900000000-7ef1c2593044e1b1fdea
Source of Spectrum F-46-5301-5
Synonyms 1-Acetyl-1,1-di(2-methoxycarbonylethyl)-3-methyl-2-propene Methyl 4-acetyl-6-methyl-5-heptenoate
Wiley ID 1195526