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4-keto-2,6-bis(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid
SpectraBase Compound ID 77MmQ7OOZDD
InChI InChI=1S/C7H2F6N2O3/c8-6(9,10)2-1(4(17)18)3(16)15-5(14-2)7(11,12)13/h(H,17,18)(H,14,15,16)
InChIKey SVTYRGSNEMGGOD-UHFFFAOYSA-N
Mol Weight 276.09 g/mol
Molecular Formula C7H2F6N2O3
Exact Mass 275.996961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EinMAqsI1o
Name 4-keto-2,6-bis(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid
Alternate Name(s) 4-Oxidanylidene-2,6-bis(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid 4-Oxo-2,6-bis(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid
CAS Registry Number 121562-16-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H2F6N2O3
InChI InChI=1S/C7H2F6N2O3/c8-6(9,10)2-1(4(17)18)3(16)15-5(14-2)7(11,12)13/h(H,17,18)(H,14,15,16)
InChIKey SVTYRGSNEMGGOD-UHFFFAOYSA-N
Molecular Weight 276.094 g/mol
SMILES Oc1nc(nc(c1C(=O)O)C(F)(F)F)C(F)(F)F
SPLASH splash10-0159-6090000000-760cd56110998bd625ed
Source of Spectrum Y-26-8-6
Wiley ID 1279416