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Methyl 1-Benzyl-2-butyl-1H-indole-3-carboxylate
SpectraBase Compound ID B9BlCqIZqPD
InChI InChI=1S/C21H23NO2/c1-3-4-13-19-20(21(23)24-2)17-12-8-9-14-18(17)22(19)15-16-10-6-5-7-11-16/h5-12,14H,3-4,13,15H2,1-2H3
InChIKey LCQVKSSJBXVVHK-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyvL9xnhdxq
Name Methyl 1-Benzyl-2-butyl-1H-indole-3-carboxylate
Alternate Name(s) 2-Butyl-1-(phenylmethyl)-3-indolecarboxylic acid methyl ester Methyl 1-benzyl-2-butylindole-3-carboxylate Methyl 1-benzyl-2-butyl-indole-3-carboxylate Methyl 2-butyl-1-(phenylmethyl)indole-3-carboxylate
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Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c1-3-4-13-19-20(21(23)24-2)17-12-8-9-14-18(17)22(19)15-16-10-6-5-7-11-16/h5-12,14H,3-4,13,15H2,1-2H3
InChIKey LCQVKSSJBXVVHK-UHFFFAOYSA-N
Molecular Weight 321.420 g/mol
SMILES c1([n](c2ccccc2c1C(=O)OC)Cc1ccccc1)CCCC
SPLASH splash10-00fu-5193000000-3c0be7fca80c06a3f3f8
Source of Spectrum U1-2012-2555-2d
Wiley ID 1715604