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Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-
SpectraBase Compound ID mLPdD9fir1
InChI InChI=1S/C9H10N4O2S/c1-5-3-6(2)13-8(10-5)11-9(12-13)16-4-7(14)15/h3H,4H2,1-2H3,(H,14,15)
InChIKey KWDFOBJTWSSECN-UHFFFAOYSA-N
Mol Weight 238.26 g/mol
Molecular Formula C9H10N4O2S
Exact Mass 238.052447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HW2ip5N9GLn
Name 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetic acid
Alternate Name(s) 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanoic acid 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]acetic acid
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Formula C9H10N4O2S
InChI InChI=1S/C9H10N4O2S/c1-5-3-6(2)13-8(10-5)11-9(12-13)16-4-7(14)15/h3H,4H2,1-2H3,(H,14,15)
InChIKey KWDFOBJTWSSECN-UHFFFAOYSA-N
Molecular Weight 238.265 g/mol
SMILES OC(CSc1nc2[n](n1)C(C)=CC(=N2)C)=O
SPLASH splash10-052g-8900000000-6c2aade9225107b7a0c5
Wiley ID 1510674