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

*Links on SpectraBase are not permalinks.
5-methyl-6-nitro-2-(trifluoromethyl)-1H-[1,2,4]triazolo[5,1-b]pyrimidin-7-one
SpectraBase Compound ID GwnMWfqYlZs
InChI InChI=1S/C7H4F3N5O3/c1-2-3(15(17)18)4(16)14-6(11-2)12-5(13-14)7(8,9)10/h1H3,(H,11,12,13)
InChIKey CYTBPGKQBBFHSR-UHFFFAOYSA-N
Mol Weight 263.14 g/mol
Molecular Formula C7H4F3N5O3
Exact Mass 263.026623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KOqxrG1O8w6
Name 2-TRIFLUOROMETHYL-5-METHYL-6-NITRO-7-OXO--4,7-DIHYDRO--1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H4F3N5O3
InChI InChI=1S/C7H4F3N5O3/c1-2-3(15(17)18)4(16)14-6(11-2)12-5(13-14)7(8,9)10/h1H3,(H,11,12,13)
InChIKey CYTBPGKQBBFHSR-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference M.N.KUSHNIR, V.L.RUSINOV, E.N.ULOMSKY, N.A.KLYUEV, S.V.SHORSHNEV,G.G.ALEKSANDROV, O.N.CHUPAKHIN (1993) Zhurn.Org.Khim.(Russ. Lang.): v.29, N3,629-638.
NMR Standard C4H8O2
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo