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2-Butyl-1-(methoxyphenylmethyl)indole-3-carboxylic acid methyl ester
SpectraBase Compound ID HknfegJBTdU
InChI InChI=1S/C22H25NO3/c1-4-5-14-19-20(22(24)26-3)17-13-9-10-15-18(17)23(19)21(25-2)16-11-7-6-8-12-16/h6-13,15,21H,4-5,14H2,1-3H3
InChIKey XIFWHSLQLNLTHO-UHFFFAOYSA-N
Mol Weight 351.45 g/mol
Molecular Formula C22H25NO3
Exact Mass 351.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eno6DhMstHV
Name 2-Butyl-1-(methoxyphenylmethyl)indole-3-carboxylic acid methyl ester
Alternate Name(s) Methyl 2-butyl-1-(methoxy(phenyl)methyl)-1H-indole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO3
InChI InChI=1S/C22H25NO3/c1-4-5-14-19-20(22(24)26-3)17-13-9-10-15-18(17)23(19)21(25-2)16-11-7-6-8-12-16/h6-13,15,21H,4-5,14H2,1-3H3
InChIKey XIFWHSLQLNLTHO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000642
Molecular Weight 351.446 g/mol
SMILES c1([n](c2ccccc2c1C(=O)OC)C(c1ccccc1)OC)CCCC
SPLASH splash10-00di-2901000000-8568c2d99f1496d428f1
Source of Spectrum ASC-352-3359-4ea
Wiley ID 1764174