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5-Acetyl-2-(cinnamoyl)cyanomethylene-3-(4-tolyl)-2,3-dihydro-1,3,4-thiadiazole
SpectraBase Compound ID GVKBtDglJXW
InChI InChI=1S/C22H17N3O2S/c1-15-8-11-18(12-9-15)25-22(28-21(24-25)16(2)26)19(14-23)20(27)13-10-17-6-4-3-5-7-17/h3-13H,1-2H3/b13-10?,22-19-
InChIKey FDKKNGGRHWMDQR-XVAJKXLGSA-N
Mol Weight 387.46 g/mol
Molecular Formula C22H17N3O2S
Exact Mass 387.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID R28lMunQm
Name 5-Acetyl-2-(cinnamoyl)cyanomethylene-3-(4-tolyl)-2,3-dihydro-1,3,4-thiadiazole
Appearance Solid
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Formula C22H17N3O2S
InChI InChI=1S/C22H17N3O2S/c1-15-8-11-18(12-9-15)25-22(28-21(24-25)16(2)26)19(14-23)20(27)13-10-17-6-4-3-5-7-17/h3-13H,1-2H3/b13-10?,22-19-
InChIKey FDKKNGGRHWMDQR-XVAJKXLGSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2013.10.029
Molecular Weight 387.457 g/mol
SMILES C1(=NN(\C(S1)=C\(C(=O)C=Cc1ccccc1)C#N)c1ccc(cc1)C)C(C)=O
SPLASH splash10-004i-9040000000-4460f37dd179a2fa4cc4
Source of Spectrum AJC-10-S2785-31b
Wiley ID 1857202