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

*Links on SpectraBase are not permalinks.
3H-1,2,4-Triazol-3-one, 5-butyl-2,4-dihydro-4-phenyl-
SpectraBase Compound ID DFZn14f359Q
InChI InChI=1S/C12H15N3O/c1-2-3-9-11-13-14-12(16)15(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,14,16)
InChIKey BZXUUXKKSOKGRM-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C12H15N3O
Exact Mass 217.121512 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 Ib26XtlIbNZ
Name 3H-1,2,4-Triazol-3-one, 5-butyl-2,4-dihydro-4-phenyl-
Alternate Name(s) 5-Butyl-4-phenyl-4H-1,2,4-triazol-3-ol .delta.2-1,2,4-triazolin-5-one, 3-butyl-4-phenyl- 3-Butyl-4-phenyl-1H-1,2,4-triazol-5-one 3-Hydroxy-4-phenyl-5-butyl-1,2,4-triazole
CAS Registry Number 66921-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O
InChI InChI=1S/C12H15N3O/c1-2-3-9-11-13-14-12(16)15(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,14,16)
InChIKey BZXUUXKKSOKGRM-UHFFFAOYSA-N
Molecular Weight 217.272 g/mol
SMILES N1N=C(N(C1=O)c1ccccc1)CCCC
SPLASH splash10-004i-3920000000-b6a48ee6575cd854df71
Source of Spectrum Y-15-238-0
Wiley ID 1216577