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Ethyl 6-bromo-5-methoxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
SpectraBase Compound ID 3JQd3rukkEp
InChI InChI=1S/C20H20BrNO3S/c1-4-25-20(23)19-14-10-18(24-3)15(21)11-16(14)22(2)17(19)12-26-13-8-6-5-7-9-13/h5-11H,4,12H2,1-3H3
InChIKey ONOSVRGAHFKSPF-UHFFFAOYSA-N
Mol Weight 434.35 g/mol
Molecular Formula C20H20BrNO3S
Exact Mass 433.034728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HYYIqI34oZ
Name Ethyl 6-bromo-5-methoxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Alternate Name(s) 6-Bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester 6-Bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Ethyl 6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Ethyl 6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Indole-3-carboxylic acid, 6-bbromo-5-methoxy-1-methyl-2-phenylthiomethyl-, ethyl ester
CAS Registry Number 40963-95-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20BrNO3S
InChI InChI=1S/C20H20BrNO3S/c1-4-25-20(23)19-14-10-18(24-3)15(21)11-16(14)22(2)17(19)12-26-13-8-6-5-7-9-13/h5-11H,4,12H2,1-3H3
InChIKey ONOSVRGAHFKSPF-UHFFFAOYSA-N
Molecular Weight 434.348 g/mol
SMILES c1(c([n](C)c2c1cc(c(Br)c2)OC)CSc1ccccc1)C(=O)OCC
SPLASH splash10-00b9-1149100000-8c8310a2aa028de61bf0
Source of Spectrum AD-0-2532-0
Wiley ID 1432781