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Methyl 7-[4-(tert-butyl)phenyl]-1H-indole-6-carboxylate
SpectraBase Compound ID DNypFxLfeRC
InChI InChI=1S/C20H21NO2/c1-20(2,3)15-8-5-13(6-9-15)17-16(19(22)23-4)10-7-14-11-12-21-18(14)17/h5-12,21H,1-4H3
InChIKey SIOAQRXVYSRXJQ-UHFFFAOYSA-N
Mol Weight 307.39 g/mol
Molecular Formula C20H21NO2
Exact Mass 307.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AztTKogwfom
Name Methyl 7-[4-(tert-butyl)phenyl]-1H-indole-6-carboxylate
Appearance Pale yellow solid
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Formula C20H21NO2
InChI InChI=1S/C20H21NO2/c1-20(2,3)15-8-5-13(6-9-15)17-16(19(22)23-4)10-7-14-11-12-21-18(14)17/h5-12,21H,1-4H3
InChIKey SIOAQRXVYSRXJQ-UHFFFAOYSA-N
Instrument Name Kratos MS 50/Thermo Quest Finnigan MAT 95 XL
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.132
Molecular Weight 307.393 g/mol
Reported Formula C20H21NO2
SMILES [nH]1ccc2c1c(c(cc2)C(OC)=O)-c1ccc(cc1)C(C)(C)C
SPLASH splash10-0a4l-2189000000-7bf6532544e7723e284e
Source of Spectrum BJO-8-SM17-4{l,a}
Thin-Layer Chromatography Rf = 0.61 (cyclohexane/ethyl acetate, 3:1)
Wiley ID 1864924