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Ethyl 7-hydroxy-7-methyl-5-(2,4-dichlorophenyl)-2-methylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl 7-hydroxy-7-methyl-5-(2,4-dichlorophenyl)-2-methylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 2Afpme1dFCg
InChI InChI=1S/C16H18Cl2N4O3S/c1-4-25-13(23)11-12(9-6-5-8(17)7-10(9)18)19-14-20-15(26-3)21-22(14)16(11,2)24/h5-7,11-12,24H,4H2,1-3H3,(H,19,20,21)
InChIKey GSOAGIXLPFBYTR-UHFFFAOYSA-N
Mol Weight 417.31 g/mol
Molecular Formula C16H18Cl2N4O3S
Exact Mass 416.047667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRxJWADLWp9
Name Ethyl 7-hydroxy-7-methyl-5-(2,4-dichlorophenyl)-2-methylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate
Alternate Name(s) Ethyl 5-(2,4-dichlorophenyl)-7-hydroxy-7-methyl-2-methylsulfanyl-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 5-(2,4-dichlorophenyl)-7-methyl-2-methylsulfanyl-7-oxidanyl-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18Cl2N4O3S
InChI InChI=1S/C16H18Cl2N4O3S/c1-4-25-13(23)11-12(9-6-5-8(17)7-10(9)18)19-14-20-15(26-3)21-22(14)16(11,2)24/h5-7,11-12,24H,4H2,1-3H3,(H,19,20,21)
InChIKey GSOAGIXLPFBYTR-UHFFFAOYSA-N
Molecular Weight 417.311 g/mol
SMILES N1C(C(C([n]2c1nc(n2)SC)(O)C)C(=O)OCC)c1c(cc(cc1)Cl)Cl
SPLASH splash10-0udi-0390000000-25052b949e5c5b7405fa
Source of Spectrum Y-46-147-6d
Wiley ID 1666696