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

*Links on SpectraBase are not permalinks.
4,5-Diphenyl-2-(2-propynyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
SpectraBase Compound ID 5ZFKinrU7B3
InChI InChI=1S/C17H13N3O/c1-2-13-19-17(21)20(15-11-7-4-8-12-15)16(18-19)14-9-5-3-6-10-14/h1,3-12H,13H2
InChIKey GVDGIYTYPBDPLU-UHFFFAOYSA-N
Mol Weight 275.31 g/mol
Molecular Formula C17H13N3O
Exact Mass 275.105862 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 8axVRpGJj3
Name 4,5-Diphenyl-2-(2-propynyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Alternate Name(s) 2-(Prop-2-ynyl)-4,5-diphenyl-1,2,4-triazol-3-one 4,5-Diphenyl-2-prop-2-ynyl-1,2,4-triazol-3-one 4,5-Diphenyl-2-propargyl-1,2,4-triazol-3-one
CAS Registry Number 65091-81-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N3O
InChI InChI=1S/C17H13N3O/c1-2-13-19-17(21)20(15-11-7-4-8-12-15)16(18-19)14-9-5-3-6-10-14/h1,3-12H,13H2
InChIKey GVDGIYTYPBDPLU-UHFFFAOYSA-N
Molecular Weight 275.311 g/mol
SMILES C#CCN1C(N(c2ccccc2)C(c2ccccc2)=N1)=O
SPLASH splash10-0059-9500000000-358f6b19e9a2005e9565
Source of Spectrum O-12-308-5
Wiley ID 1279230