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4-((3-(furan-2-yl)-5-thioxo-1H-1,2,4-triazol-4(5H)-ylimino)methyl)benzoic acid
SpectraBase Compound ID 1Je1hby7CSK
InChI InChI=1S/C14H10N4O3S/c19-13(20)10-5-3-9(4-6-10)8-15-18-12(16-17-14(18)22)11-2-1-7-21-11/h1-8H,(H,17,22)(H,19,20)
InChIKey SLBSDFMMESYBCJ-UHFFFAOYSA-N
Mol Weight 314.32 g/mol
Molecular Formula C14H10N4O3S
Exact Mass 314.047361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwXLjxcLXWw
Name 4-((3-(furan-2-yl)-5-thioxo-1H-1,2,4-triazol-4(5H)-ylimino)methyl)benzoic acid
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Formula C14H10N4O3S
InChI InChI=1S/C14H10N4O3S/c19-13(20)10-5-3-9(4-6-10)8-15-18-12(16-17-14(18)22)11-2-1-7-21-11/h1-8H,(H,17,22)(H,19,20)
InChIKey SLBSDFMMESYBCJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19963290811
Molecular Weight 314.319 g/mol
SMILES N1C(N(N=Cc2ccc(C(O)=O)cc2)C(c2occc2)=N1)=S
SPLASH splash10-02t9-2915000000-f697b68181a861b1ff0c
Source of Spectrum APC-329-429-2e
Synonyms 4-(((3-(furan-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid
Wiley ID 1799217