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Hexanoic acid, 6-(2-hydroxycyclohexylidene)-2-methyl-3-oxo-, methyl ester
SpectraBase Compound ID LdUYZitYSg0
InChI InChI=1S/C14H22O4/c1-10(14(17)18-2)12(15)9-5-7-11-6-3-4-8-13(11)16/h7,10,13,16H,3-6,8-9H2,1-2H3/b11-7+
InChIKey RNRLQYZCSWASAH-YRNVUSSQSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MxhTzhFOpF
Name Hexanoic acid, 6-(2-hydroxycyclohexylidene)-2-methyl-3-oxo-, methyl ester
Alternate Name(s) (E)-2-Hydroxy[(4-carbomethoxy)-3-oxopentyl)methylidene]cyclohexane Methyl (6E)-6-(2-hydroxycyclohexylidene)-2-methyl-3-oxohexanoate
CAS Registry Number 79707-73-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-10(14(17)18-2)12(15)9-5-7-11-6-3-4-8-13(11)16/h7,10,13,16H,3-6,8-9H2,1-2H3/b11-7+
InChIKey RNRLQYZCSWASAH-YRNVUSSQSA-N
Molecular Weight 254.326 g/mol
SMILES OC1\C(=C\CCC(C(C(=O)OC)C)=O)CCCC1
SPLASH splash10-00dj-6910000000-06914442dbfcea3f71a8
Source of Spectrum C-103-7556-0
Wiley ID 1257660