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Ethyl 7-(3,4-dichlorophenyl)-2-methylthio-5-trifluoromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 69Fm8dNadij
InChI InChI=1S/C16H13Cl2F3N4O2S/c1-3-27-13(26)10-11(7-4-5-8(17)9(18)6-7)25-14(23-15(24-25)28-2)22-12(10)16(19,20)21/h4-6,11H,3H2,1-2H3,(H,22,23,24)
InChIKey DLYDDKWCKOKDIX-UHFFFAOYSA-N
Mol Weight 453.27 g/mol
Molecular Formula C16H13Cl2F3N4O2S
Exact Mass 452.008837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYOTQWCSnpL
Name Ethyl 7-(3,4-dichlorophenyl)-2-methylthio-5-trifluoromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
Alternate Name(s) Ethyl 7-(3,4-dichlorophenyl)-2-methylsulfanyl-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13Cl2F3N4O2S
InChI InChI=1S/C16H13Cl2F3N4O2S/c1-3-27-13(26)10-11(7-4-5-8(17)9(18)6-7)25-14(23-15(24-25)28-2)22-12(10)16(19,20)21/h4-6,11H,3H2,1-2H3,(H,22,23,24)
InChIKey DLYDDKWCKOKDIX-UHFFFAOYSA-N
Molecular Weight 453.267 g/mol
SMILES N1c2[n](C(C(=C1C(F)(F)F)C(=O)OCC)c1cc(Cl)c(cc1)Cl)nc(n2)SC
SPLASH splash10-0zfr-0012900000-7194e898353247f2274d
Source of Spectrum Y-46-146-5r
Wiley ID 1666701