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ethyl 1-(4-tert-butylbenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate
SpectraBase Compound ID 9a4THEh1QYU
InChI InChI=1S/C23H27NO3/c1-6-27-22(26)21-15(2)24(20-12-11-18(25)13-19(20)21)14-16-7-9-17(10-8-16)23(3,4)5/h7-13,25H,6,14H2,1-5H3
InChIKey VRSHIIPYMCLSGP-UHFFFAOYSA-N
Mol Weight 365.47 g/mol
Molecular Formula C23H27NO3
Exact Mass 365.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaQjisMWV6P
Name Ethyl 1-(4-tert-butylbenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CAS Registry Number 340972-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27NO3
InChI InChI=1S/C23H27NO3/c1-6-27-22(26)21-15(2)24(20-12-11-18(25)13-19(20)21)14-16-7-9-17(10-8-16)23(3,4)5/h7-13,25H,6,14H2,1-5H3
InChIKey VRSHIIPYMCLSGP-UHFFFAOYSA-N
Molecular Weight 365.473 g/mol
SMILES Oc1cc2c(c([n](Cc3ccc(C(C)(C)C)cc3)c2cc1)C)C(=O)OCC
SPLASH splash10-0002-1901000000-2f1ec6a583fc2c43bf58
Source of Spectrum AD-0-2532-0
Synonyms 1-(4-tert-butylbenzyl)-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester 1-[(4-tert-butylphenyl)methyl]-5-hydroxy-2-methyl-3-indolecarboxylic acid ethyl ester Ethyl 1-[(4-tert-butylphenyl)methyl]-2-methyl-5-oxidanyl-indole-3-carboxylate Ethyl 1-[(4-tert-butylphenyl)methyl]-5-hydroxy-2-methyl-indole-3-carboxylate Indole-3-carboxylic acid, 5-hydroxy-2-methyl-1-[4-(1,1-dimethylethyl)benzyl]-, ethyl ester
Wiley ID 1432767