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

*Links on SpectraBase are not permalinks.
Methanone, [7-(4-chlorophenyl)-4,7-dihydro-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](1,3-dimethyl-1H-pyrazol-4-yl)-
SpectraBase Compound ID 3PDtujcQmWm
InChI InChI=1S/C18H14ClF3N6O/c1-9-12(7-27(2)26-9)15(29)13-14(10-3-5-11(19)6-4-10)28-17(23-8-24-28)25-16(13)18(20,21)22/h3-8,14H,1-2H3,(H,23,24,25)
InChIKey KMPHSWIXNNAQBQ-UHFFFAOYSA-N
Mol Weight 422.8 g/mol
Molecular Formula C18H14ClF3N6O
Exact Mass 422.086971 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 I0FS5qHPzA1
Name Methanone, [7-(4-chlorophenyl)-4,7-dihydro-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](1,3-dimethyl-1H-pyrazol-4-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14ClF3N6O
InChI InChI=1S/C18H14ClF3N6O/c1-9-12(7-27(2)26-9)15(29)13-14(10-3-5-11(19)6-4-10)28-17(23-8-24-28)25-16(13)18(20,21)22/h3-8,14H,1-2H3,(H,23,24,25)
InChIKey KMPHSWIXNNAQBQ-UHFFFAOYSA-N
Molecular Weight 422.799 g/mol
SMILES N1c2[n](C(C(=C1C(F)(F)F)C(=O)c1c(n[n](c1)C)C)c1ccc(cc1)Cl)ncn2
SPLASH splash10-00di-8912100000-51cc6c390ad20e2939eb
Source of Spectrum IY-1-4569-2
Synonyms [7-(4-chlorophenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-(1,3-dimethyl-4-pyrazolyl)methanone
Wiley ID 1653675