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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 E6YgYBRAp2h
Name HEXANOIC ACID, 2-(1'-HYDROXYBENZYL)-, METHYL ESTER, (1R,2S or 1S,2R)
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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
Instrument Name 311A
Molecular Weight 236.1407
SMILES OC(C(C(OC)=O)CCCC)c1ccccc1
SPLASH splash10-0019-9500000000-7dde1803f1f99ed49310
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