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3-Chloro-N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SpectraBase Compound ID 3dKSBZuQbRd
InChI InChI=1S/C20H18ClN5O/c21-12-11-18(27)23-19-24-20-22-16(14-7-3-1-4-8-14)13-17(26(20)25-19)15-9-5-2-6-10-15/h1-10,13,17H,11-12H2,(H2,22,23,24,25,27)
InChIKey VQKYAVCZPZEEKV-UHFFFAOYSA-N
Mol Weight 379.85 g/mol
Molecular Formula C20H18ClN5O
Exact Mass 379.119988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HLmY4B8d3CG
Name 3-Chloro-N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-A]pyrimidin-2-yl)propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.119987919 u
Formula C20H18ClN5O
InChI InChI=1S/C20H18ClN5O/c21-12-11-18(27)23-19-24-20-22-16(14-7-3-1-4-8-14)13-17(26(20)25-19)15-9-5-2-6-10-15/h1-10,13,17H,11-12H2,(H2,22,23,24,25,27)
InChIKey VQKYAVCZPZEEKV-UHFFFAOYSA-N
Molecular Weight 379.851 g/mol
SMILES C1=2N(N=C(N2)NC(CCCl)=O)C(C2=CC=CC=C2)C=C(N1)C=1C=CC=CC1