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

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

Isopropyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate
SpectraBase Compound ID 5QiW6sBH7bN
InChI InChI=1S/C21H21NO3/c1-14(2)25-21(24)17(12-20(23)15-8-4-3-5-9-15)18-13-22-19-11-7-6-10-16(18)19/h3-11,13-14,17,22H,12H2,1-2H3
InChIKey GHRTYVSWQHEEQU-UHFFFAOYSA-N
Mol Weight 335.4 g/mol
Molecular Formula C21H21NO3
Exact Mass 335.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPrBNaNkES
Name Isopropyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.152143537 u
Formula C21H21NO3
InChI InChI=1S/C21H21NO3/c1-14(2)25-21(24)17(12-20(23)15-8-4-3-5-9-15)18-13-22-19-11-7-6-10-16(18)19/h3-11,13-14,17,22H,12H2,1-2H3
InChIKey GHRTYVSWQHEEQU-UHFFFAOYSA-N
Molecular Weight 335.403 g/mol
SMILES C(C(CC(C=1C=CC=CC1)=O)C1=CNC=2C=CC=CC12)(=O)OC(C)C