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Ethyl 1-(2-ethylhexyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate
SpectraBase Compound ID 5ITUA6lSF7O
InChI InChI=1S/C20H29NO3/c1-5-8-9-15(6-2)13-21-14(4)19(20(23)24-7-3)17-12-16(22)10-11-18(17)21/h10-12,15,22H,5-9,13H2,1-4H3
InChIKey XCLIDHHCPAQASU-UHFFFAOYSA-N
Mol Weight 331.46 g/mol
Molecular Formula C20H29NO3
Exact Mass 331.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAlVPYGf6xF
Name Ethyl 1-(2-ethylhexyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CAS Registry Number 300860-45-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO3
InChI InChI=1S/C20H29NO3/c1-5-8-9-15(6-2)13-21-14(4)19(20(23)24-7-3)17-12-16(22)10-11-18(17)21/h10-12,15,22H,5-9,13H2,1-4H3
InChIKey XCLIDHHCPAQASU-UHFFFAOYSA-N
Molecular Weight 331.456 g/mol
SMILES Oc1cc2c(c([n](CC(CC)CCCC)c2cc1)C)C(=O)OCC
SPLASH splash10-001i-4579000000-17552cb8e9ef4b5a4159
Source of Spectrum AD-0-2532-0
Synonyms 1-(2-Ethylhexyl)-5-hydroxy-2-methyl-3-indolecarboxylic acid ethyl ester 1-(2-Ethylhexyl)-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester Ethyl 1-(2-ethylhexyl)-2-methyl-5-oxidanyl-indole-3-carboxylate Ethyl 1-(2-ethylhexyl)-5-hydroxy-2-methyl-indole-3-carboxylate Indole-3-carboxylic acid, 5-hydroxy-1-(2-ethylhexyl)-2-methyl-, ethyl ester
Wiley ID 1433474