3-[[1-(4-Methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]thio]propanoic acid methyl ester

SpectraBase Compound ID	KAVKP3fJgVd
InChI	InChI=1S/C26H28O4S/c1-28-23-14-10-22(11-15-23)25(31-17-16-26(27)29-2)18-20-8-12-24(13-9-20)30-19-21-6-4-3-5-7-21/h3-15,25H,16-19H2,1-2H3
InChIKey	XOLPRWRPYRKDPI-UHFFFAOYSA-N Google Search
Mol Weight	436.57 g/mol
Molecular Formula	C26H28O4S
Exact Mass	436.170831 g/mol

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SpectraBase Spectrum ID	2GXqDNJ9MQ3
Name	3-[[1-(4-Methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]thio]propanoic acid methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	436.170830552 u
Formula	C26H28O4S
InChI	InChI=1S/C26H28O4S/c1-28-23-14-10-22(11-15-23)25(31-17-16-26(27)29-2)18-20-8-12-24(13-9-20)30-19-21-6-4-3-5-7-21/h3-15,25H,16-19H2,1-2H3
InChIKey	XOLPRWRPYRKDPI-UHFFFAOYSA-N
Molecular Weight	436.566 g/mol
SMILES	C(CCSC(CC=1C=CC(=CC1)OCC=1C=CC=CC1)C=1C=CC(=CC1)OC)(=O)OC