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Hexanoic acid, 3-hydroxy-2-methylene-3-propyl-, methyl ester
SpectraBase Compound ID 6RobjzkvFFt
InChI InChI=1S/C11H20O3/c1-5-7-11(13,8-6-2)9(3)10(12)14-4/h13H,3,5-8H2,1-2,4H3
InChIKey QQCOFPCVFWPLHE-UHFFFAOYSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fs5Sy0fB5in
Name Hexanoic acid, 3-hydroxy-2-methylene-3-propyl-, methyl ester
CAS Registry Number 112247-21-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-5-7-11(13,8-6-2)9(3)10(12)14-4/h13H,3,5-8H2,1-2,4H3
InChIKey QQCOFPCVFWPLHE-UHFFFAOYSA-N
Molecular Weight 200.278 g/mol
SMILES OC(C(C(=O)OC)=C)(CCC)CCC
SPLASH splash10-0a4i-4900000000-24b53223232b3fcfa8cc
Source of Spectrum J-53-1040-7
Synonyms 3-Hydroxy-2-methylene-3-propylhexanoic acid methyl ester Methyl 3-hydroxy-2-methylidene-3-propylhexanoate Methyl 3-hydroxy-2-methylene-3-propyl-hexanoate Methyl 2-methylidene-3-oxidanyl-3-propyl-hexanoate
Wiley ID 1197735