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

*Links on SpectraBase are not permalinks.
Ethyl 7-hydroxy-7-trifluoromethyl-5-(phenyl)-2-methylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID F7RjBfaeTvw
InChI InChI=1S/C16H17F3N4O3S/c1-3-26-12(24)10-11(9-7-5-4-6-8-9)20-13-21-14(27-2)22-23(13)15(10,25)16(17,18)19/h4-8,10-11,25H,3H2,1-2H3,(H,20,21,22)
InChIKey XSSFLCYWWKFLFK-UHFFFAOYSA-N
Mol Weight 402.39 g/mol
Molecular Formula C16H17F3N4O3S
Exact Mass 402.097346 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 84u2bjx1d8d
Name Ethyl 7-hydroxy-7-trifluoromethyl-5-(phenyl)-2-methylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17F3N4O3S
InChI InChI=1S/C16H17F3N4O3S/c1-3-26-12(24)10-11(9-7-5-4-6-8-9)20-13-21-14(27-2)22-23(13)15(10,25)16(17,18)19/h4-8,10-11,25H,3H2,1-2H3,(H,20,21,22)
InChIKey XSSFLCYWWKFLFK-UHFFFAOYSA-N
Molecular Weight 402.392 g/mol
SMILES N1C(C(C([n]2c1nc(n2)SC)(C(F)(F)F)O)C(=O)OCC)c1ccccc1
SPLASH splash10-014i-0490000000-8e11df2340de2efa1e19
Source of Spectrum Y-46-147-6u
Synonyms Ethyl 7-hydroxy-2-methylsulfanyl-5-phenyl-7-(trifluoromethyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 2-methylsulfanyl-7-oxidanyl-5-phenyl-7-(trifluoromethyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Wiley ID 1666688