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5-(Chloromethyl)-1-phenyl-1,2,4-triazole

View entire compound with spectra: 1 MS (GC)

5-(Chloromethyl)-1-phenyl-1,2,4-triazole
SpectraBase Compound ID r3cTmkhE4g
InChI InChI=1S/C9H8ClN3/c10-6-9-11-7-12-13(9)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey DPCODPMVVLMMLR-UHFFFAOYSA-N
Mol Weight 193.64 g/mol
Molecular Formula C9H8ClN3
Exact Mass 193.040675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIr62nrhuzJ
Name 5-(Chloromethyl)-1-phenyl-1,2,4-triazole
CAS Registry Number 114370-76-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8ClN3
InChI InChI=1S/C9H8ClN3/c10-6-9-11-7-12-13(9)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey DPCODPMVVLMMLR-UHFFFAOYSA-N
Molecular Weight 193.637 g/mol
SMILES c1n[n](c(n1)CCl)-c1ccccc1
SPLASH splash10-0006-7900000000-8dd68b4deb10d499b710
Source of Spectrum D8-325-527-9
Synonyms 3-Chlormethyl-2-phenyl-1.2.4.triazol 3-Chloromethyl-2-phenyl-1.2.4-triazole 5-(Chloromethyl)-1-phenyl-1H-1,2,4-triazole
Wiley ID 1514527