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1-(3-cyano-4-(furan-2yl)-5,6-dimethylpyridin-2-yl)thiourea
SpectraBase Compound ID LizL6S7YIDi
InChI InChI=1S/C13H12N4OS/c1-7-8(2)16-12(17-13(15)19)9(6-14)11(7)10-4-3-5-18-10/h3-5H,1-2H3,(H3,15,16,17,19)
InChIKey RNHOTVQHYZXXKR-UHFFFAOYSA-N
Mol Weight 272.33 g/mol
Molecular Formula C13H12N4OS
Exact Mass 272.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jiog7fACvaP
Name 1-(3-cyano-4-(furan-2yl)-5,6-dimethylpyridin-2-yl)thiourea
Appearance Black crystals
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Formula C13H12N4OS
InChI InChI=1S/C13H12N4OS/c1-7-8(2)16-12(17-13(15)19)9(6-14)11(7)10-4-3-5-18-10/h3-5H,1-2H3,(H3,15,16,17,19)
InChIKey RNHOTVQHYZXXKR-UHFFFAOYSA-N
Instrument Name Kratos MS or Varian MAT 331 A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3584
Molecular Weight 272.326 g/mol
SMILES N(c1nc(c(c(c1C#N)-c1occc1)C)C)C(=S)N
SPLASH splash10-014i-0900000000-5e5ee374be357b4e26a4
Source of Spectrum Y-56-2042-10
Wiley ID 1859589