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Ethyl 5-(methylthio)-2-(o-methoxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SpectraBase Compound ID A9mE4agU60C
InChI InChI=1S/C16H16N4O3S/c1-4-23-15(21)11-9-17-16(24-3)20-14(11)18-13(19-20)10-7-5-6-8-12(10)22-2/h5-9H,4H2,1-3H3
InChIKey ZNCFPUMTPDWETH-UHFFFAOYSA-N
Mol Weight 344.39 g/mol
Molecular Formula C16H16N4O3S
Exact Mass 344.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdLKTdBeU6j
Name Ethyl 5-(methylthio)-2-(o-methoxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Alternate Name(s) Ethyl 2-(2-methoxyphenyl)-5-(methylsulfanyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CAS Registry Number 78515-00-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N4O3S
InChI InChI=1S/C16H16N4O3S/c1-4-23-15(21)11-9-17-16(24-3)20-14(11)18-13(19-20)10-7-5-6-8-12(10)22-2/h5-9H,4H2,1-3H3
InChIKey ZNCFPUMTPDWETH-UHFFFAOYSA-N
Molecular Weight 344.389 g/mol
SMILES c12[n](nc(n2)-c2c(OC)cccc2)C(=NC=C1C(=O)OCC)SC
SPLASH splash10-0udi-0029000000-629cbb0d8a3b5950ee2f
Source of Spectrum J-46-3959-0
Wiley ID 1337670