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Methyl 4-[(4-Ethylphenyl)sulfanyl]-6-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylbenzoate
SpectraBase Compound ID 9aj4OlDfbfq
InChI InChI=1S/C20H22O5S/c1-5-13-6-8-14(9-7-13)26-17-11-16(21)19(20(23)25-4)15(12(17)2)10-18(22)24-3/h6-9,11,21H,5,10H2,1-4H3
InChIKey WJFYVFNBLQPASF-UHFFFAOYSA-N
Mol Weight 374.45 g/mol
Molecular Formula C20H22O5S
Exact Mass 374.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jaopbl1h4tB
Name Methyl 4-[(4-Ethylphenyl)sulfanyl]-6-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O5S
InChI InChI=1S/C20H22O5S/c1-5-13-6-8-14(9-7-13)26-17-11-16(21)19(20(23)25-4)15(12(17)2)10-18(22)24-3/h6-9,11,21H,5,10H2,1-4H3
InChIKey WJFYVFNBLQPASF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900348
Molecular Weight 374.451 g/mol
SMILES Oc1c(c(c(c(Sc2ccc(cc2)CC)c1)C)CC(=O)OC)C(=O)OC
SPLASH splash10-05fr-0179000000-dff903c6dda8c5a3b029
Source of Spectrum H-93-709-3k
Synonyms Methyl 4-((4-ethylphenyl)thio)-6-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylbenzoate
Wiley ID 1783966