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Benzeneacetic acid, .alpha.-hydroxy-.alpha.-(1-hydroxycyclopentyl)-, methyl ester
SpectraBase Compound ID 8EIH0pNEpqB
InChI InChI=1S/C14H18O4/c1-18-12(15)14(17,11-7-3-2-4-8-11)13(16)9-5-6-10-13/h2-4,7-8,16-17H,5-6,9-10H2,1H3
InChIKey ZABCVNMKZBSCNL-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISMu4voe90x
Name Benzeneacetic acid, .alpha.-hydroxy-.alpha.-(1-hydroxycyclopentyl)-, methyl ester
CAS Registry Number 104865-64-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-18-12(15)14(17,11-7-3-2-4-8-11)13(16)9-5-6-10-13/h2-4,7-8,16-17H,5-6,9-10H2,1H3
InChIKey ZABCVNMKZBSCNL-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES OC1(C(C(=O)OC)(c2ccccc2)O)CCCC1
SPLASH splash10-0aor-3900000000-8a9325a4e79e90ade4d1
Source of Spectrum F-42-568-3
Synonyms Methyl 2-(1-cyclopentanol)mandelate Methyl hydroxy(1-hydroxycyclopentyl)phenylacetate
Wiley ID 1253322