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Benzeneacetic acid, .alpha.-hydroxy-.alpha.-(1-hydroxy-2-cyclohexen-1-yl)-, methyl ester
SpectraBase Compound ID BIAf0tWP4T1
InChI InChI=1S/C15H18O4/c1-19-13(16)15(18,12-8-4-2-5-9-12)14(17)10-6-3-7-11-14/h2,4-6,8-10,17-18H,3,7,11H2,1H3
InChIKey LIFUJOGXPAPFFV-UHFFFAOYSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QtN5LodC8V
Name Benzeneacetic acid, .alpha.-hydroxy-.alpha.-(1-hydroxy-2-cyclohexen-1-yl)-, methyl ester
CAS Registry Number 104865-51-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-19-13(16)15(18,12-8-4-2-5-9-12)14(17)10-6-3-7-11-14/h2,4-6,8-10,17-18H,3,7,11H2,1H3
InChIKey LIFUJOGXPAPFFV-UHFFFAOYSA-N
Molecular Weight 262.305 g/mol
SMILES OC1(C(C(=O)OC)(c2ccccc2)O)C=CCCC1
SPLASH splash10-0ar1-9500000000-4ad259983d9ef2bee366
Source of Spectrum F-42-571-3
Synonyms Methyl 2-(2-cyclohexen-L-ol)mandelate Methyl hydroxy(1-hydroxy-2-cyclohexen-1-yl)phenylacetate
Wiley ID 1265854