Benzeneacetic acid, .alpha.-[1-(acetyloxy)-2-cyclohexen-1-yl]-.alpha.-hydroxy-, methyl ester

SpectraBase Compound ID	1NVER2e18FQ
InChI	InChI=1S/C17H20O5/c1-13(18)22-16(11-7-4-8-12-16)17(20,15(19)21-2)14-9-5-3-6-10-14/h3,5-7,9-11,20H,4,8,12H2,1-2H3
InChIKey	IHOUCIPSMCJXGD-UHFFFAOYSA-N Google Search
Mol Weight	304.34 g/mol
Molecular Formula	C17H20O5
Exact Mass	304.131074 g/mol

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SpectraBase Spectrum ID	elkh5mvNpx
Name	Benzeneacetic acid, .alpha.-[1-(acetyloxy)-2-cyclohexen-1-yl]-.alpha.-hydroxy-, methyl ester
CAS Registry Number	104865-50-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H20O5
InChI	InChI=1S/C17H20O5/c1-13(18)22-16(11-7-4-8-12-16)17(20,15(19)21-2)14-9-5-3-6-10-14/h3,5-7,9-11,20H,4,8,12H2,1-2H3
InChIKey	IHOUCIPSMCJXGD-UHFFFAOYSA-N
Molecular Weight	304.342 g/mol
SMILES	OC(C1(OC(=O)C)C=CCCC1)(C(=O)OC)c1ccccc1
SPLASH	splash10-052r-5910000000-aa1db452d26fac263d3f
Source of Spectrum	F-42-571-3
Synonyms	Methyl 2-(1-acethoxy-2-cyclohexene)mandelate Methyl[1-(acetyloxy)-2-cyclohexen-1-yl](hydroxy)phenylacetate
Wiley ID	1306453