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5-(2-Chlorophenyl)-1-n-octyl-4-phenyl-1H-1,2,3-triazole

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

5-(2-Chlorophenyl)-1-n-octyl-4-phenyl-1H-1,2,3-triazole
SpectraBase Compound ID 5AS9Fqh0FZd
InChI InChI=1S/C22H26ClN3/c1-2-3-4-5-6-12-17-26-22(19-15-10-11-16-20(19)23)21(24-25-26)18-13-8-7-9-14-18/h7-11,13-16H,2-6,12,17H2,1H3
InChIKey YGAQAORUTUTCBD-UHFFFAOYSA-N
Mol Weight 367.92 g/mol
Molecular Formula C22H26ClN3
Exact Mass 367.181526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxHx4NLbU72
Name 5-(2-Chlorophenyl)-1-N-octyl-4-phenyl-1H-1,2,3-triazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.181525549 u
Formula C22H26ClN3
InChI InChI=1S/C22H26ClN3/c1-2-3-4-5-6-12-17-26-22(19-15-10-11-16-20(19)23)21(24-25-26)18-13-8-7-9-14-18/h7-11,13-16H,2-6,12,17H2,1H3
InChIKey YGAQAORUTUTCBD-UHFFFAOYSA-N
Molecular Weight 367.924 g/mol
SMILES C=1(N(N=NC1C1=CC=CC=C1)CCCCCCCC)C1=C(C=CC=C1)Cl