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Hexanoic acid, 2-(1'-hydroxybenzyl)-, methyl ester, (1R,2R or 1S,2S)
SpectraBase Compound ID E8IiGzQSBqv
InChI InChI=1S/C14H20O3/c1-3-4-10-12(14(16)17-2)13(15)11-8-6-5-7-9-11/h5-9,12-13,15H,3-4,10H2,1-2H3
InChIKey FUCNAVMEWSTFGT-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrO6q6HXbpk
Name Hexanoic acid, 2-(1'-hydroxybenzyl)-, methyl ester, (1R,2R or 1S,2S)
Alternate Name(s) Hexanoic acid, 2-(1'-hydroxybenzyl)-, methyl, (1R,2S or 1S,2R) 2-[hydroxy(phenyl)methyl]hexanoic acid methyl ester Methyl 2-[hydroxy(phenyl)methyl]hexanoate Methyl 2-[oxidanyl(phenyl)methyl]hexanoate
CAS Registry Number 192221-70-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-3-4-10-12(14(16)17-2)13(15)11-8-6-5-7-9-11/h5-9,12-13,15H,3-4,10H2,1-2H3
InChIKey FUCNAVMEWSTFGT-UHFFFAOYSA-N
Molecular Weight 236.311 g/mol
SMILES OC(c1ccccc1)C(CCCC)C(=O)OC
SPLASH splash10-0019-9500000000-ffddd35093af6276e15f
Wiley ID 1490963