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Ethyl 7-(4-chlorophenyl)-2-methylthio-5-trifluoromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 2TxQU4lTq7R
InChI InChI=1S/C16H14ClF3N4O2S/c1-3-26-13(25)10-11(8-4-6-9(17)7-5-8)24-14(22-15(23-24)27-2)21-12(10)16(18,19)20/h4-7,11H,3H2,1-2H3,(H,21,22,23)
InChIKey NEVUTKUVXVBZLT-UHFFFAOYSA-N
Mol Weight 418.82 g/mol
Molecular Formula C16H14ClF3N4O2S
Exact Mass 418.047809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3dwsfhuCxs
Name Ethyl 7-(4-chlorophenyl)-2-methylthio-5-trifluoromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
Alternate Name(s) Ethyl 7-(4-chlorophenyl)-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 C16H14ClF3N4O2S
InChI InChI=1S/C16H14ClF3N4O2S/c1-3-26-13(25)10-11(8-4-6-9(17)7-5-8)24-14(22-15(23-24)27-2)21-12(10)16(18,19)20/h4-7,11H,3H2,1-2H3,(H,21,22,23)
InChIKey NEVUTKUVXVBZLT-UHFFFAOYSA-N
Molecular Weight 418.822 g/mol
SMILES N1c2[n](C(C(=C1C(F)(F)F)C(=O)OCC)c1ccc(cc1)Cl)nc(n2)SC
SPLASH splash10-01b9-0018900000-5d4bd338c69627c1d23e
Source of Spectrum Y-46-146-5p
Wiley ID 1666703