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4-Chloranyl-N-(4,5-dimethyl-1,2,3-triazol-1-yl)-N-(phenylcarbonyl)benzamide

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

4-Chloranyl-N-(4,5-dimethyl-1,2,3-triazol-1-yl)-N-(phenylcarbonyl)benzamide
SpectraBase Compound ID 66A07TRl9AA
InChI InChI=1S/C18H15ClN4O2/c1-12-13(2)23(21-20-12)22(17(24)14-6-4-3-5-7-14)18(25)15-8-10-16(19)11-9-15/h3-11H,1-2H3
InChIKey KWKRTRVSVGBKRP-UHFFFAOYSA-N
Mol Weight 354.8 g/mol
Molecular Formula C18H15ClN4O2
Exact Mass 354.088353 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YhIyLLOlrf
Name 4-Chloranyl-N-(4,5-dimethyl-1,2,3-triazol-1-yl)-N-(phenylcarbonyl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.088353437 u
Formula C18H15ClN4O2
InChI InChI=1S/C18H15ClN4O2/c1-12-13(2)23(21-20-12)22(17(24)14-6-4-3-5-7-14)18(25)15-8-10-16(19)11-9-15/h3-11H,1-2H3
InChIKey KWKRTRVSVGBKRP-UHFFFAOYSA-N
Molecular Weight 354.797 g/mol
SMILES C(N(N1N=NC(=C1C)C)C(=O)C1=CC=CC=C1)(C=1C=CC(=CC1)Cl)=O