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3-[4-(4-Chlorobenzoylamino)-1,3-dimethylpyrazol-5-yl]indole

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

3-[4-(4-Chlorobenzoylamino)-1,3-dimethylpyrazol-5-yl]indole
SpectraBase Compound ID FCvIyk1wZ6O
InChI InChI=1S/C20H17ClN4O/c1-12-18(23-20(26)13-7-9-14(21)10-8-13)19(25(2)24-12)16-11-22-17-6-4-3-5-15(16)17/h3-11,22H,1-2H3,(H,23,26)
InChIKey NPIAGIDRAQSURT-UHFFFAOYSA-N
Mol Weight 364.84 g/mol
Molecular Formula C20H17ClN4O
Exact Mass 364.109089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6krBtRy0N9X
Name 3-[4-(4-Chlorobenzoylamino)-1,3-dimethylpyrazol-5-yl]indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.109088882 u
Formula C20H17ClN4O
InChI InChI=1S/C20H17ClN4O/c1-12-18(23-20(26)13-7-9-14(21)10-8-13)19(25(2)24-12)16-11-22-17-6-4-3-5-15(16)17/h3-11,22H,1-2H3,(H,23,26)
InChIKey NPIAGIDRAQSURT-UHFFFAOYSA-N
Molecular Weight 364.836 g/mol
SMILES C=1NC=2C=CC=CC2C1C=1N(N=C(C1NC(C=1C=CC(=CC1)Cl)=O)C)C