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

*Links on SpectraBase are not permalinks.
4-keto-2,6-bis(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid ethyl ester
SpectraBase Compound ID LMTtp3ovPTy
InChI InChI=1S/C9H6F6N2O3/c1-2-20-6(19)3-4(8(10,11)12)16-7(9(13,14)15)17-5(3)18/h2H2,1H3,(H,16,17,18)
InChIKey VZIVWMJNTAQEHY-UHFFFAOYSA-N
Mol Weight 304.15 g/mol
Molecular Formula C9H6F6N2O3
Exact Mass 304.028261 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 34YKyCmWy7J
Name 4-keto-2,6-bis(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid ethyl ester
CAS Registry Number 121562-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6F6N2O3
InChI InChI=1S/C9H6F6N2O3/c1-2-20-6(19)3-4(8(10,11)12)16-7(9(13,14)15)17-5(3)18/h2H2,1H3,(H,16,17,18)
InChIKey VZIVWMJNTAQEHY-UHFFFAOYSA-N
Molecular Weight 304.148 g/mol
SMILES N1C(=C(C(N=C1C(F)(F)F)=O)C(=O)OCC)C(F)(F)F
SPLASH splash10-004i-9030000000-f7f725514d7a4246c587
Source of Spectrum Y-26-8-2
Synonyms 4-Oxo-2,6-bis(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 4-oxidanylidene-2,6-bis(trifluoromethyl)-1H-pyrimidine-5-carboxylate Ethyl 4-oxo-2,6-bis(trifluoromethyl)-1H-pyrimidine-5-carboxylate
Wiley ID 1305908