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1-(3-Chlorophenyl)-1H-1,2,4-triazole
SpectraBase Compound ID GisGJXbBXlh
InChI InChI=1S/C8H6ClN3/c9-7-2-1-3-8(4-7)12-6-10-5-11-12/h1-6H
InChIKey XZEOLMYETGYYIQ-UHFFFAOYSA-N
Mol Weight 179.61 g/mol
Molecular Formula C8H6ClN3
Exact Mass 179.025025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3VbAKTq4Eu
Name 1-(3-Chlorophenyl)-1H-1,2,4-triazole
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClN3
InChI InChI=1S/C8H6ClN3/c9-7-2-1-3-8(4-7)12-6-10-5-11-12/h1-6H
InChIKey XZEOLMYETGYYIQ-UHFFFAOYSA-N
Instrument Name JEOL JMS-HX110
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801808
Molecular Weight 179.610 g/mol
Reported Formula C8H6ClN3
SMILES c1(cc(ccc1)Cl)-[n]1ncnc1
SPLASH splash10-004i-2900000000-5ca3d5f42fb12317d4e7
Source of Spectrum U1-2019-1761-3h
Wiley ID 1846124