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[5-(2-Aminophenyl)-4H-[1,2,4]-triazol-3-ylthio]acetic Acid Ethyl Ester
SpectraBase Compound ID NaCDmH050S
InChI InChI=1S/C12H14N4O2S/c1-2-18-10(17)7-19-12-14-11(15-16-12)8-5-3-4-6-9(8)13/h3-6H,2,7,13H2,1H3,(H,14,15,16)
InChIKey XSSHXOHYEQWLFX-UHFFFAOYSA-N
Mol Weight 278.33 g/mol
Molecular Formula C12H14N4O2S
Exact Mass 278.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RDzLyL9HUn
Name [5-(2-Aminophenyl)-4H-[1,2,4]-triazol-3-ylthio]acetic Acid Ethyl Ester
Alternate Name(s) Ethyl 2-[[5-(2-aminophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Ethyl 2-[[5-(2-aminophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate
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Formula C12H14N4O2S
InChI InChI=1S/C12H14N4O2S/c1-2-18-10(17)7-19-12-14-11(15-16-12)8-5-3-4-6-9(8)13/h3-6H,2,7,13H2,1H3,(H,14,15,16)
InChIKey XSSHXOHYEQWLFX-UHFFFAOYSA-N
Molecular Weight 278.330 g/mol
SMILES [nH]1c(nnc1-c1c(cccc1)N)SCC(=O)OCC
SPLASH splash10-05r3-3690000000-c49b3b0669252a0c2693
Source of Spectrum E1-57-582-4a
Wiley ID 1661788