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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
Mol Weight 436.57 g/mol
Molecular Formula C26H28O4S
Exact Mass 436.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HiFGzjgfbAw
Name 3-[[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]thio]propanoic acid methyl ester
Alternate Name(s) 3-[[2-(4-benzoxyphenyl)-1-(4-methoxyphenyl)ethyl]thio]propionic acid methyl ester Methyl 3-[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanylpropanoate
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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(Cc1ccc(cc1)OCc1ccccc1)c1ccc(cc1)OC)(=O)OC
SPLASH splash10-0f9o-5292000000-294daf5ee4388a8a43db
Source of Spectrum E1-37-1122-29
Wiley ID 1575030