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Ethyl 3-chloro-2-hydroxy-4-biphenyl-6-(methylthio)benzoate
SpectraBase Compound ID 4NKQib7CA7a
InChI InChI=1S/C22H19ClO3S/c1-3-26-22(25)19-18(27-2)13-17(20(23)21(19)24)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13,24H,3H2,1-2H3
InChIKey FUQSYBNAMAPJPP-UHFFFAOYSA-N
Mol Weight 398.9 g/mol
Molecular Formula C22H19ClO3S
Exact Mass 398.074343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdqJPfz7XBi
Name Ethyl 3-chloro-2-hydroxy-4-biphenyl-6-(methylthio)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19ClO3S
InChI InChI=1S/C22H19ClO3S/c1-3-26-22(25)19-18(27-2)13-17(20(23)21(19)24)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13,24H,3H2,1-2H3
InChIKey FUQSYBNAMAPJPP-UHFFFAOYSA-N
Molecular Weight 398.904 g/mol
SMILES Oc1c(c(cc(-c2ccc(-c3ccccc3)cc2)c1Cl)SC)C(=O)OCC
SPLASH splash10-0udi-0009100000-2794f337c66d530ca053
Source of Spectrum U1-2009-5862-11e
Synonyms Ethyl 3-chloro-2-hydroxy-6-methylsulfanyl-4-(4-phenylphenyl)benzoate Ethyl 3-chloranyl-6-methylsulfanyl-2-oxidanyl-4-(4-phenylphenyl)benzoate
Wiley ID 1697422