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4-[(4-chlorophenyl)thio]-2,6-bis(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester
SpectraBase Compound ID HKjmAO3AvvP
InChI InChI=1S/C15H9ClF6N2O2S/c1-2-26-12(25)9-10(14(17,18)19)23-13(15(20,21)22)24-11(9)27-8-5-3-7(16)4-6-8/h3-6H,2H2,1H3
InChIKey RLYLQHZVJWVGFX-UHFFFAOYSA-N
Mol Weight 430.75 g/mol
Molecular Formula C15H9ClF6N2O2S
Exact Mass 429.997745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfdVC3wbQ5k
Name 4-[(4-chlorophenyl)thio]-2,6-bis(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester
CAS Registry Number 121562-23-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9ClF6N2O2S
InChI InChI=1S/C15H9ClF6N2O2S/c1-2-26-12(25)9-10(14(17,18)19)23-13(15(20,21)22)24-11(9)27-8-5-3-7(16)4-6-8/h3-6H,2H2,1H3
InChIKey RLYLQHZVJWVGFX-UHFFFAOYSA-N
Molecular Weight 430.752 g/mol
SMILES c1(c(c(Sc2ccc(cc2)Cl)nc(n1)C(F)(F)F)C(=O)OCC)C(F)(F)F
SPLASH splash10-067i-9533800000-f3363e36272978cbc99b
Source of Spectrum Y-26-9-11
Synonyms 4-[(4-chlorophenyl)thio]-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Ethyl 4-(4-chlorophenyl)sulfanyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylate
Wiley ID 1381338