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4-(4-Chlorophenyl)-2-(1H-indol-3-yl)-4-keto-butyric acid

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

4-(4-Chlorophenyl)-2-(1H-indol-3-yl)-4-keto-butyric acid
SpectraBase Compound ID 9llVMDlsgdG
InChI InChI=1S/C18H14ClNO3/c19-12-7-5-11(6-8-12)17(21)9-14(18(22)23)15-10-20-16-4-2-1-3-13(15)16/h1-8,10,14,20H,9H2,(H,22,23)
InChIKey QKRSVVUEVGLGGY-UHFFFAOYSA-N
Mol Weight 327.77 g/mol
Molecular Formula C18H14ClNO3
Exact Mass 327.066221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8v3EngkGh78
Name 4-(4-Chlorophenyl)-2-(1H-indol-3-yl)-4-keto-butyric acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.066221012 u
Formula C18H14ClNO3
InChI InChI=1S/C18H14ClNO3/c19-12-7-5-11(6-8-12)17(21)9-14(18(22)23)15-10-20-16-4-2-1-3-13(15)16/h1-8,10,14,20H,9H2,(H,22,23)
InChIKey QKRSVVUEVGLGGY-UHFFFAOYSA-N
Molecular Weight 327.767 g/mol
SMILES C1=CC=C2C(=C1)C(=CN2)C(C(=O)O)CC(=O)C1=CC=C(C=C1)Cl