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1-[2-(4-tert-butylphenoxy)ethyl]-5-hydroxy-2-methyl-3-benzo[g]indolecarboxylic acid ethyl ester
SpectraBase Compound ID HkLF8Mcih1H
InChI InChI=1S/C28H31NO4/c1-6-32-27(31)25-18(2)29(15-16-33-20-13-11-19(12-14-20)28(3,4)5)26-22-10-8-7-9-21(22)24(30)17-23(25)26/h7-14,17,30H,6,15-16H2,1-5H3
InChIKey LQUSMVIRXLQROO-UHFFFAOYSA-N
Mol Weight 445.56 g/mol
Molecular Formula C28H31NO4
Exact Mass 445.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnKEOTIrPKl
Name 1-[2-(4-tert-butylphenoxy)ethyl]-5-hydroxy-2-methyl-3-benzo[g]indolecarboxylic acid ethyl ester
Alternate Name(s) 1-[2-(4-tert-butylphenoxy)ethyl]-5-hydroxy-2-methyl-benz[g]indole-3-carboxylic acid ethyl ester Ethyl 1-[2-(4-tert-butylphenoxy)ethyl]-2-methyl-5-oxidanyl-benzo[g]indole-3-carboxylate Ethyl 1-[2-(4-tert-butylphenoxy)ethyl]-5-hydroxy-2-methyl-benzo[g]indole-3-carboxylate
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Formula C28H31NO4
InChI InChI=1S/C28H31NO4/c1-6-32-27(31)25-18(2)29(15-16-33-20-13-11-19(12-14-20)28(3,4)5)26-22-10-8-7-9-21(22)24(30)17-23(25)26/h7-14,17,30H,6,15-16H2,1-5H3
InChIKey LQUSMVIRXLQROO-UHFFFAOYSA-N
Molecular Weight 445.559 g/mol
SMILES Oc1c2ccccc2c2c(c(c([n]2CCOc2ccc(C(C)(C)C)cc2)C)C(=O)OCC)c1
SPLASH splash10-0002-1220900000-8726a23905446cf8e9ee
Wiley ID 1436676