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Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate
SpectraBase Compound ID DVMfkkaMXWN
InChI InChI=1S/C21H23NO4S/c1-4-25-21(24)20-18(13-27-14-8-6-5-7-9-14)26-17-11-10-16(23)15(19(17)20)12-22(2)3/h5-11,23H,4,12-13H2,1-3H3
InChIKey FWOMJMKPXGUDOG-UHFFFAOYSA-N
Mol Weight 385.48 g/mol
Molecular Formula C21H23NO4S
Exact Mass 385.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRhvFvbMiTG
Name Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate
Alternate Name(s) Benzofurane-3-carboxylic acid, 5-hydroxy-4-dimethylamino-2-phenylthio-, ethyl ester 4-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-(phenylsulfanylmethyl)benzofuran-3-carboxylate Ethyl 4-[(dimethylamino)methyl]-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate
CAS Registry Number 169376-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4S
InChI InChI=1S/C21H23NO4S/c1-4-25-21(24)20-18(13-27-14-8-6-5-7-9-14)26-17-11-10-16(23)15(19(17)20)12-22(2)3/h5-11,23H,4,12-13H2,1-3H3
InChIKey FWOMJMKPXGUDOG-UHFFFAOYSA-N
Molecular Weight 385.478 g/mol
SMILES Oc1c(c2c(c(oc2cc1)CSc1ccccc1)C(=O)OCC)CN(C)C
SPLASH splash10-000i-3259000000-5dad64f008ab44eaa49f
Source of Spectrum AD-0-2532-0
Wiley ID 1432883