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1-(4-Methylphenyl)-1H-1,2,4-triazole
SpectraBase Compound ID AheZQgPpuiq
InChI InChI=1S/C9H9N3/c1-8-2-4-9(5-3-8)12-7-10-6-11-12/h2-7H,1H3
InChIKey NXIAVERGTMRISY-UHFFFAOYSA-N
Mol Weight 159.19 g/mol
Molecular Formula C9H9N3
Exact Mass 159.079647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkD7Ex1B8B5
Name 1-(4-Methylphenyl)-1H-1,2,4-triazole
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3
InChI InChI=1S/C9H9N3/c1-8-2-4-9(5-3-8)12-7-10-6-11-12/h2-7H,1H3
InChIKey NXIAVERGTMRISY-UHFFFAOYSA-N
Instrument Name JEOL JMS-HX110
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801808
Molecular Weight 159.192 g/mol
Reported Formula C9H9N3
SMILES c1(ccc(cc1)C)-[n]1ncnc1
SPLASH splash10-0a4i-9600000000-0c4aeb09eaf7619b0ec6
Source of Spectrum U1-2019-1761-3k
Wiley ID 1846127