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1-(4-Chlorobenzyl)-5-methyl-3-phenyl-1H-1,2,4-triazole 4-oxide
SpectraBase Compound ID HROxsvAfiab
InChI InChI=1S/C16H14ClN3O/c1-12-19(11-13-7-9-15(17)10-8-13)18-16(20(12)21)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKey LDEHEOFXCFCFFO-UHFFFAOYSA-N
Mol Weight 299.76 g/mol
Molecular Formula C16H14ClN3O
Exact Mass 299.08254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaoLhi9Oksk
Name 1-(4-Chlorobenzyl)-5-methyl-3-phenyl-1H-1,2,4-triazole 4-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClN3O
InChI InChI=1S/C16H14ClN3O/c1-12-19(11-13-7-9-15(17)10-8-13)18-16(20(12)21)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKey LDEHEOFXCFCFFO-UHFFFAOYSA-N
Molecular Weight 299.761 g/mol
SMILES C=1(N(=C(N(N1)Cc1ccc(cc1)Cl)C)=O)c1ccccc1
SPLASH splash10-004i-9730000000-e6b4c113151d28f0cc1c
Source of Spectrum NP-10-387-0
Synonyms 1-(4-Chlorobenzyl)-5-methyl-3-phenyl-1,2,4-triazol-4-oxide 1-[(4-chlorophenyl)methyl]-5-methyl-4-oxido-3-phenyl-1,2,4-triazol-4-ium 1-[(4-chlorophenyl)methyl]-5-methyl-4-oxidanidyl-3-phenyl-1,2,4-triazol-4-ium
Wiley ID 1108579