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7-keto-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid ethyl ester
SpectraBase Compound ID 3FzRSNLEkG8
InChI InChI=1S/C9H6F3N3O3S/c1-2-18-6(17)4-3-5(16)13-8-15(4)14-7(19-8)9(10,11)12/h3H,2H2,1H3
InChIKey DQKKSABMYSEKLC-UHFFFAOYSA-N
Mol Weight 293.22 g/mol
Molecular Formula C9H6F3N3O3S
Exact Mass 293.008197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBNqAm2PWyK
Name 7-keto-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid ethyl ester
CAS Registry Number 82077-86-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6F3N3O3S
InChI InChI=1S/C9H6F3N3O3S/c1-2-18-6(17)4-3-5(16)13-8-15(4)14-7(19-8)9(10,11)12/h3H,2H2,1H3
InChIKey DQKKSABMYSEKLC-UHFFFAOYSA-N
Molecular Weight 293.220 g/mol
SMILES CCOC(C1=CC(N=C2N1N=C(C(F)(F)F)S2)=O)=O
SPLASH splash10-0076-2190000000-38e8fd9db2dff501554a
Source of Spectrum O-19-435-8
Synonyms 7-Oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid ethyl ester Ethyl 7-oxidanylidene-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate Ethyl 7-oxo-2-(trifluoromethyl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate Ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
Wiley ID 1296103