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2-(5-Phenyl-[1,3,4]thiadiazol-2-yl)-benzo[de]isoquinoline-1,3-dione
SpectraBase Compound ID 4XxAss1oBDX
InChI InChI=1S/C20H11N3O2S/c24-18-14-10-4-8-12-9-5-11-15(16(12)14)19(25)23(18)20-22-21-17(26-20)13-6-2-1-3-7-13/h1-11H
InChIKey IQHVUDIGNUFHPV-UHFFFAOYSA-N
Mol Weight 357.39 g/mol
Molecular Formula C20H11N3O2S
Exact Mass 357.057198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6iow6vgXQX
Name 2-(5-Phenyl-[1,3,4]thiadiazol-2-yl)-benzo[de]isoquinoline-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 357.057197778 u
Formula C20H11N3O2S
InChI InChI=1S/C20H11N3O2S/c24-18-14-10-4-8-12-9-5-11-15(16(12)14)19(25)23(18)20-22-21-17(26-20)13-6-2-1-3-7-13/h1-11H
InChIKey IQHVUDIGNUFHPV-UHFFFAOYSA-N
Molecular Weight 357.387 g/mol
SMILES C1=CC2=C3C(=C1)C(=O)N(C=1SC(C4=CC=CC=C4)=NN1)C(C3=CC=C2)=O