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Heptanoic acid, 3-hydroxy-2-methylene-6-oxo-, methyl ester
SpectraBase Compound ID 1Sclw6CdSaW
InChI InChI=1S/C9H14O4/c1-6(10)4-5-8(11)7(2)9(12)13-3/h8,11H,2,4-5H2,1,3H3
InChIKey QTOYATHPDPZTHP-UHFFFAOYSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zFu6Sm297Q
Name Heptanoic acid, 3-hydroxy-2-methylene-6-oxo-, methyl ester
CAS Registry Number 115205-02-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-6(10)4-5-8(11)7(2)9(12)13-3/h8,11H,2,4-5H2,1,3H3
InChIKey QTOYATHPDPZTHP-UHFFFAOYSA-N
Molecular Weight 186.207 g/mol
SMILES OC(C(C(=O)OC)=C)CCC(=O)C
SPLASH splash10-0159-5900000000-9c0e43a84da0bb598992
Source of Spectrum J-53-3706-5
Synonyms di-tert-butyl 3-(2-(hydroxycarbonyl)ethyl)-1-cyclohexene-1,5-dicarboxylate Methyl 2-(1-hydroxy-4-oxopentyl)acrylate
Wiley ID 1182537