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2-[1-Cyano-2-(3,4-dimethoxyphenyl)vinyl]-5-cinnamoylamino-1,3,4-thiadiazole
SpectraBase Compound ID BFHHU2Suh8a
InChI InChI=1S/C22H18N4O3S/c1-28-18-10-8-16(13-19(18)29-2)12-17(14-23)21-25-26-22(30-21)24-20(27)11-9-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,24,26,27)
InChIKey HQQRISPQCCZVSQ-UHFFFAOYSA-N
Mol Weight 418.47 g/mol
Molecular Formula C22H18N4O3S
Exact Mass 418.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hb8jBkuKe
Name 2-[1-Cyano-2-(3,4-dimethoxyphenyl)vinyl]-5-cinnamoylamino-1,3,4-thiadiazole
Appearance Yellow crystals
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Formula C22H18N4O3S
InChI InChI=1S/C22H18N4O3S/c1-28-18-10-8-16(13-19(18)29-2)12-17(14-23)21-25-26-22(30-21)24-20(27)11-9-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,24,26,27)
InChIKey HQQRISPQCCZVSQ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2824
Molecular Weight 418.471 g/mol
SMILES N(c1sc(C(C#N)=Cc2cc(c(cc2)OC)OC)nn1)C(C=Cc1ccccc1)=O
SPLASH splash10-0ue9-1900000000-569fe0b3c5e18a3d542d
Source of Spectrum Y-54-2357-7
Wiley ID 1878438