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

*Links on SpectraBase are not permalinks.
1H-1,2,4-Triazole-1-acetonitrile, .alpha.,.alpha.,3-tris(1-methylethyl)-
SpectraBase Compound ID 1IJNjZ0jNzP
InChI InChI=1S/C13H22N4/c1-9(2)12-15-8-17(16-12)13(7-14,10(3)4)11(5)6/h8-11H,1-6H3
InChIKey XKXWOOPXXQKPKV-UHFFFAOYSA-N
Mol Weight 234.35 g/mol
Molecular Formula C13H22N4
Exact Mass 234.184447 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 7uRgIonjzkb
Name 1H-1,2,4-Triazole-1-acetonitrile, .alpha.,.alpha.,3-tris(1-methylethyl)-
CAS Registry Number 108346-38-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22N4
InChI InChI=1S/C13H22N4/c1-9(2)12-15-8-17(16-12)13(7-14,10(3)4)11(5)6/h8-11H,1-6H3
InChIKey XKXWOOPXXQKPKV-UHFFFAOYSA-N
Molecular Weight 234.347 g/mol
SMILES c1(n[n](cn1)C(C#N)(C(C)C)C(C)C)C(C)C
SPLASH splash10-004l-9800000000-ea376b85aedc795dfdf7
Source of Spectrum J-52-2917-5
Synonyms 2-isopropyl-2-(3-isopropyl-1H-1,2,4-triazol-1-yl)-3-methylbutanenitrile 3-Methyl-2-(1-methylethyl)-2-[3-(1-methylethyl)-1,2,4-triazol-1-yl]butanenitrile 2-isopropyl-2-(3-isopropyl-1,2,4-triazol-1-yl)-3-methyl-butanenitrile 3-Methyl-2-propan-2-yl-2-(3-propan-2-yl-1,2,4-triazol-1-yl)butanenitrile
Wiley ID 1236016