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6-Bromo-1-cyclohexyl-5-hydroxy-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester
SpectraBase Compound ID CtErdNCmcFd
InChI InChI=1S/C24H26BrNO3S/c1-2-29-24(28)23-18-13-22(27)19(25)14-20(18)26(16-9-5-3-6-10-16)21(23)15-30-17-11-7-4-8-12-17/h4,7-8,11-14,16,27H,2-3,5-6,9-10,15H2,1H3
InChIKey OKHZCIFCEKTVHO-UHFFFAOYSA-N
Mol Weight 488.44 g/mol
Molecular Formula C24H26BrNO3S
Exact Mass 487.081678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YlJv84sgYF
Name 6-Bromo-1-cyclohexyl-5-hydroxy-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester
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Formula C24H26BrNO3S
InChI InChI=1S/C24H26BrNO3S/c1-2-29-24(28)23-18-13-22(27)19(25)14-20(18)26(16-9-5-3-6-10-16)21(23)15-30-17-11-7-4-8-12-17/h4,7-8,11-14,16,27H,2-3,5-6,9-10,15H2,1H3
InChIKey OKHZCIFCEKTVHO-UHFFFAOYSA-N
Molecular Weight 488.440 g/mol
SMILES Oc1c(Br)cc2c(c(c([n]2C2CCCCC2)CSc2ccccc2)C(=O)OCC)c1
SPLASH splash10-0059-1029100000-6b08db79fd20ff718e9d
Synonyms 6-Bromo-1-cyclohexyl-5-hydroxy-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Ethyl 6-bromanyl-1-cyclohexyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate Ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Wiley ID 1436630