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4-Amino-5-((4-methoxyphenoxy)methyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 3tHyAFSPnEU
InChI InChI=1S/C10H12N4O2S/c1-15-7-2-4-8(5-3-7)16-6-9-12-13-10(17)14(9)11/h2-5H,6,11H2,1H3,(H,13,17)
InChIKey KJLSUWJYBZBVIJ-UHFFFAOYSA-N
Mol Weight 252.29 g/mol
Molecular Formula C10H12N4O2S
Exact Mass 252.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIP0HdwBNlu
Name 4-Amino-5-((4-methoxyphenoxy)methyl)-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N4O2S
InChI InChI=1S/C10H12N4O2S/c1-15-7-2-4-8(5-3-7)16-6-9-12-13-10(17)14(9)11/h2-5H,6,11H2,1H3,(H,13,17)
InChIKey KJLSUWJYBZBVIJ-UHFFFAOYSA-N
Instrument Name Varian MAT 311A or HP6890 series
Ionization Type EI
Literature Reference DOI 10.1021/jm801399r
Molecular Weight 252.292 g/mol
SMILES N[n]1c(nnc1COc1ccc(cc1)OC)S
SPLASH splash10-00di-1910000000-9b9f21e8603bd33c2263
Source of Spectrum AF-52-4207-12
Wiley ID 1873603