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

*Links on SpectraBase are not permalinks.

BNWQEHYYXTVKOF-UHFFFAOYSA-N

View entire compound with spectra: 4 NMR, and 6 MS (GC)

BNWQEHYYXTVKOF-UHFFFAOYSA-N
SpectraBase Compound ID 4LCvQSrqyoo
InChI InChI=1S/C9H9N3/c1-2-4-9(5-3-1)6-12-8-10-7-11-12/h1-5,7-8H,6H2
InChIKey BNWQEHYYXTVKOF-UHFFFAOYSA-N
Mol Weight 159.19 g/mol
Molecular Formula C9H9N3
Exact Mass 159.079647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID JQbKZzyOhYQ
Name Phenyl-(1,2,4-triazol-1-yl)-methane
CAS Registry Number 6085-94-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H9N3
InChI InChI=1S/C9H9N3/c1-2-4-9(5-3-1)6-12-8-10-7-11-12/h1-5,7-8H,6H2
InChIKey BNWQEHYYXTVKOF-UHFFFAOYSA-N
Literature Reference J. Elguero, R.M. Claramunt, R. Garceran, Magn. Res. Chem. 25, 260 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3