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2-n-Butyl)-3-(4-carbomethoxybenzoyl)indole
SpectraBase Compound ID 8Qd0Gmmepc9
InChI InChI=1S/C21H21NO3/c1-3-4-8-18-19(16-7-5-6-9-17(16)22-18)20(23)14-10-12-15(13-11-14)21(24)25-2/h5-7,9-13,22H,3-4,8H2,1-2H3
InChIKey DJQLJBJVFQUBRL-UHFFFAOYSA-N
Mol Weight 335.4 g/mol
Molecular Formula C21H21NO3
Exact Mass 335.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtoCeLyc64x
Name 2-n-Butyl)-3-(4-carbomethoxybenzoyl)indole
Alternate Name(s) Methyl 4-[(2-butyl-1H-indol-3-yl)carbonyl]benzoate
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Formula C21H21NO3
InChI InChI=1S/C21H21NO3/c1-3-4-8-18-19(16-7-5-6-9-17(16)22-18)20(23)14-10-12-15(13-11-14)21(24)25-2/h5-7,9-13,22H,3-4,8H2,1-2H3
InChIKey DJQLJBJVFQUBRL-UHFFFAOYSA-N
Molecular Weight 335.403 g/mol
SMILES [nH]1c2c(c(c1CCCC)C(c1ccc(C(=O)OC)cc1)=O)cccc2
SPLASH splash10-06rl-0429000000-138b85cc6adb4ae473a1
Source of Spectrum F-50-450-21
Wiley ID 1331819