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2-(1-Benzyl-1H-indol-3-yl)-4-oxo-4-phenylbutanoic acid

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2-(1-Benzyl-1H-indol-3-yl)-4-oxo-4-phenylbutanoic acid
SpectraBase Compound ID HceXun8Wmt9
InChI InChI=1S/C25H21NO3/c27-24(19-11-5-2-6-12-19)15-21(25(28)29)22-17-26(16-18-9-3-1-4-10-18)23-14-8-7-13-20(22)23/h1-14,17,21H,15-16H2,(H,28,29)
InChIKey SCVVSPICUFOPGD-UHFFFAOYSA-N
Mol Weight 383.45 g/mol
Molecular Formula C25H21NO3
Exact Mass 383.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36KMm4Zbh42
Name 3-Benzoyl-2-(1-benzyl-3-indolyl)propionic acid
Comments Computed using HOSE algorithm
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Exact Mass 383.152143537 u
Formula C25H21NO3
InChI InChI=1S/C25H21NO3/c27-24(19-11-5-2-6-12-19)15-21(25(28)29)22-17-26(16-18-9-3-1-4-10-18)23-14-8-7-13-20(22)23/h1-14,17,21H,15-16H2,(H,28,29)
InChIKey SCVVSPICUFOPGD-UHFFFAOYSA-N
Molecular Weight 383.447 g/mol
SMILES OC(C(C=1c2ccccc2N(C1)Cc1ccccc1)CC(=O)c1ccccc1)=O