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2-((4-amino-6-hydroxypyrimidin-2-yl)thio)-N-(5-(4-chlorophenylazo)thiazol-2-yl)acetamide
SpectraBase Compound ID DUfhzMbH13M
InChI InChI=1S/C15H12ClN7O2S2/c16-8-1-3-9(4-2-8)22-23-13-6-18-14(27-13)21-12(25)7-26-15-19-10(17)5-11(24)20-15/h1-6H,7H2,(H,18,21,25)(H3,17,19,20,24)/b23-22+
InChIKey DPMLNSMAMNDGNY-GHVJWSGMSA-N
Mol Weight 421.88 g/mol
Molecular Formula C15H12ClN7O2S2
Exact Mass 421.018243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjJRx7FHMcg
Name 2-((4-amino-6-hydroxypyrimidin-2-yl)thio)-N-(5-(4-chlorophenylazo)thiazol-2-yl)acetamide
Appearance Orange solid
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Exact Mass 421.018242700 u
Formula C15H12ClN7O2S2
InChI InChI=1S/C15H12ClN7O2S2/c16-8-1-3-9(4-2-8)22-23-13-6-18-14(27-13)21-12(25)7-26-15-19-10(17)5-11(24)20-15/h1-6H,7H2,(H,18,21,25)(H3,17,19,20,24)/b23-22+
InChIKey DPMLNSMAMNDGNY-GHVJWSGMSA-N
Instrument Name Thermo Scientific Focus/DSQII
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2022.101431
Molecular Weight 421.881 g/mol
Quality 783
SMILES N(C1=NC=C(S1)\N=N\C1=CC=C(C=C1)Cl)C(CSC1=NC(=CC(=N1)N)O)=O
SPLASH splash10-0089-2890200000-e95db6e5f45f279cbac9
Source of Spectrum SCS-26-SM27-8 (DOI: 10.1016/j.jscs.2022.101431)
Wiley ID 1911012