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Methyl 2-Hydroxy-6-(2-methoxy-2-oxoethyl)-4-[(4-methylphenyl)sulfanyl]benzoate
SpectraBase Compound ID 74rMYoXSUgU
InChI InChI=1S/C18H18O5S/c1-11-4-6-13(7-5-11)24-14-8-12(9-16(20)22-2)17(15(19)10-14)18(21)23-3/h4-8,10,19H,9H2,1-3H3
InChIKey KMTCJWGKUDWDJV-UHFFFAOYSA-N
Mol Weight 346.4 g/mol
Molecular Formula C18H18O5S
Exact Mass 346.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4PGda8oCGc
Name Methyl 2-Hydroxy-6-(2-methoxy-2-oxoethyl)-4-[(4-methylphenyl)sulfanyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O5S
InChI InChI=1S/C18H18O5S/c1-11-4-6-13(7-5-11)24-14-8-12(9-16(20)22-2)17(15(19)10-14)18(21)23-3/h4-8,10,19H,9H2,1-3H3
InChIKey KMTCJWGKUDWDJV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900348
Molecular Weight 346.397 g/mol
SMILES Oc1c(C(=O)OC)c(cc(c1)Sc1ccc(cc1)C)CC(=O)OC
SPLASH splash10-0592-0196000000-548427be7b30445ebf72
Source of Spectrum H-93-708-3e
Synonyms Methyl 2-hydroxy-6-(2-methoxy-2-oxoethyl)-4-(p-tolylthio)benzoate
Wiley ID 1783962