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Methyl 2-(2-methyl-1H-indol-3-yl)-4-oxo-4-phenylbutanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl 2-(2-methyl-1H-indol-3-yl)-4-oxo-4-phenylbutanoate
SpectraBase Compound ID IuAI9pMiY9a
InChI InChI=1S/C20H19NO3/c1-13-19(15-10-6-7-11-17(15)21-13)16(20(23)24-2)12-18(22)14-8-4-3-5-9-14/h3-11,16,21H,12H2,1-2H3
InChIKey GOLQPUYDVIQLSR-UHFFFAOYSA-N
Mol Weight 321.38 g/mol
Molecular Formula C20H19NO3
Exact Mass 321.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 70gTdatVRT9
Name Methyl 2-(2-methyl-1H-indol-3-yl)-4-oxo-4-phenylbutanoate
Comments Computed using HOSE algorithm
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Exact Mass 321.136493473 u
Formula C20H19NO3
InChI InChI=1S/C20H19NO3/c1-13-19(15-10-6-7-11-17(15)21-13)16(20(23)24-2)12-18(22)14-8-4-3-5-9-14/h3-11,16,21H,12H2,1-2H3
InChIKey GOLQPUYDVIQLSR-UHFFFAOYSA-N
Molecular Weight 321.376 g/mol
SMILES C(C(CC(C=1C=CC=CC1)=O)C1=C(NC=2C=CC=CC12)C)(=O)OC