For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Benzyl-1H-1,2,4-triazole
SpectraBase Compound ID 6TS5JBXdoWB
InChI InChI=1S/C9H9N3/c1-2-4-8(5-3-1)6-9-10-7-11-12-9/h1-5,7H,6H2,(H,10,11,12)
InChIKey VZEAUAKJULSHNO-UHFFFAOYSA-N
Mol Weight 159.19 g/mol
Molecular Formula C9H9N3
Exact Mass 159.079647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AAlh0XeDtRC
Name 3-Benzyl-1H-1,2,4-triazole
CAS Registry Number 21117-34-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3
InChI InChI=1S/C9H9N3/c1-2-4-8(5-3-1)6-9-10-7-11-12-9/h1-5,7H,6H2,(H,10,11,12)
InChIKey VZEAUAKJULSHNO-UHFFFAOYSA-N
Molecular Weight 159.192 g/mol
SMILES [nH]1ncnc1Cc1ccccc1
SPLASH splash10-0a4i-3900000000-ba79a1930678fcb812f9
Source of Spectrum JF-312-871-12
Synonyms 5-(Phenylmethyl)-1H-1,2,4-triazole 5-Benzyl-1H-1,2,4-triazole
Wiley ID 1156186