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3-[(E)-2-CYANOVINYL]-5,10-DIHYDRO-BENZO-[E]-1,2,4-THIADIAZOLO-[4,5-A]-[1,3]-DIAZEPINE
SpectraBase Compound ID GSRa3awFQsL
InChI InChI=1S/C13H10N4S/c14-7-3-6-12-16-18-13-15-8-10-4-1-2-5-11(10)9-17(12)13/h1-6H,8-9H2/b6-3+
InChIKey UYNXXORFDUSLPP-ZZXKWVIFSA-N
Mol Weight 254.31 g/mol
Molecular Formula C13H10N4S
Exact Mass 254.062618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bk0Ob6yPJQz
Name 3-[(E)-2-CYANOVINYL]-5,10-DIHYDRO-BENZO-[E]-1,2,4-THIADIAZOLO-[4,5-A]-[1,3]-DIAZEPINE
Compound Number 36
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Formula C13H10N4S
InChI InChI=1S/C13H10N4S/c14-7-3-6-12-16-18-13-15-8-10-4-1-2-5-11(10)9-17(12)13/h1-6H,8-9H2/b6-3+
InChIKey UYNXXORFDUSLPP-ZZXKWVIFSA-N
Literature Reference Author L.L.LAI,T.H.NGOI,D.H.REID,R.H.NICOL,J.B.RHODES
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1753(1993)
Literature Reference DOI 10.1039/p19930001753
Molecular Weight 254.309 g/mol
Solvent CDCl3
Source File Reference UWCP1419