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1-(3-Chloro-phenyl)-3-[2-(1-methyl-1H-[1,2,4]triazol-3-yl)-phenyl]-urea

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

1-(3-Chloro-phenyl)-3-[2-(1-methyl-1H-[1,2,4]triazol-3-yl)-phenyl]-urea
SpectraBase Compound ID HcCIbRKScNK
InChI InChI=1S/C16H14ClN5O/c1-22-10-18-15(21-22)13-7-2-3-8-14(13)20-16(23)19-12-6-4-5-11(17)9-12/h2-10H,1H3,(H2,19,20,23)
InChIKey NINLKVBLHBAVHG-UHFFFAOYSA-N
Mol Weight 327.78 g/mol
Molecular Formula C16H14ClN5O
Exact Mass 327.088688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTLGheqaPit
Name 1-(3-Chloro-phenyl)-3-[2-(1-methyl-1H-[1,2,4]triazol-3-yl)-phenyl]-urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.088687790 u
Formula C16H14ClN5O
InChI InChI=1S/C16H14ClN5O/c1-22-10-18-15(21-22)13-7-2-3-8-14(13)20-16(23)19-12-6-4-5-11(17)9-12/h2-10H,1H3,(H2,19,20,23)
InChIKey NINLKVBLHBAVHG-UHFFFAOYSA-N
Molecular Weight 327.775 g/mol
SMILES C=1(N=CN(N1)C)C=1C(NC(NC=2C=CC=C(C2)Cl)=O)=CC=CC1