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Methyl 4-[(4-Chlorophenyl)sulfanyl]-6-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylbenzoate
SpectraBase Compound ID 2XKDED1SnIL
InChI InChI=1S/C18H17ClO5S/c1-10-13(8-16(21)23-2)17(18(22)24-3)14(20)9-15(10)25-12-6-4-11(19)5-7-12/h4-7,9,20H,8H2,1-3H3
InChIKey MTPQLANCANNTFE-UHFFFAOYSA-N
Mol Weight 380.84 g/mol
Molecular Formula C18H17ClO5S
Exact Mass 380.048523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbHrtnSg9Bw
Name Methyl 4-[(4-Chlorophenyl)sulfanyl]-6-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClO5S
InChI InChI=1S/C18H17ClO5S/c1-10-13(8-16(21)23-2)17(18(22)24-3)14(20)9-15(10)25-12-6-4-11(19)5-7-12/h4-7,9,20H,8H2,1-3H3
InChIKey MTPQLANCANNTFE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900348
Molecular Weight 380.842 g/mol
SMILES Oc1c(c(c(c(Sc2ccc(cc2)Cl)c1)C)CC(=O)OC)C(=O)OC
SPLASH splash10-00e9-0039000000-a0bf7ac8879d209af9ac
Source of Spectrum H-93-709-3l
Synonyms Methyl 4-((4-chlorophenyl)thio)-6-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylbenzoate
Wiley ID 1783967