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

*Links on SpectraBase are not permalinks.
Ethyl 7-(4-methylphenyl)-2-methylthio-5-trifluoromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID KmFWA0W4ZIA
InChI InChI=1S/C17H17F3N4O2S/c1-4-26-14(25)11-12(10-7-5-9(2)6-8-10)24-15(22-16(23-24)27-3)21-13(11)17(18,19)20/h5-8,12H,4H2,1-3H3,(H,21,22,23)
InChIKey MZEFXPBGHDOHBF-UHFFFAOYSA-N
Mol Weight 398.4 g/mol
Molecular Formula C17H17F3N4O2S
Exact Mass 398.102431 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 6tz0uWDQrkh
Name Ethyl 7-(4-methylphenyl)-2-methylthio-5-trifluoromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17F3N4O2S
InChI InChI=1S/C17H17F3N4O2S/c1-4-26-14(25)11-12(10-7-5-9(2)6-8-10)24-15(22-16(23-24)27-3)21-13(11)17(18,19)20/h5-8,12H,4H2,1-3H3,(H,21,22,23)
InChIKey MZEFXPBGHDOHBF-UHFFFAOYSA-N
Molecular Weight 398.404 g/mol
SMILES N1c2[n](C(C(=C1C(F)(F)F)C(=O)OCC)c1ccc(cc1)C)nc(n2)SC
SPLASH splash10-0f6t-0019000000-70e882416afb46484d2c
Source of Spectrum Y-46-146-5v
Synonyms 7-(4-Methylphenyl)-2-(methylthio)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl 2-methylsulfanyl-7-(p-tolyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 7-(4-methylphenyl)-2-methylsulfanyl-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Wiley ID 1711107