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2-(5-Propyl-[1,3,4]thiadiazol-2-yl)-benzo[de]isoquinoline-1,3-dione

View entire compound with spectra: 1 NMR

2-(5-Propyl-[1,3,4]thiadiazol-2-yl)-benzo[de]isoquinoline-1,3-dione
SpectraBase Compound ID 6qGUNJg5SyL
InChI InChI=1S/C17H13N3O2S/c1-2-5-13-18-19-17(23-13)20-15(21)11-8-3-6-10-7-4-9-12(14(10)11)16(20)22/h3-4,6-9H,2,5H2,1H3
InChIKey JTZGGOIJKMCNNO-UHFFFAOYSA-N
Mol Weight 323.37 g/mol
Molecular Formula C17H13N3O2S
Exact Mass 323.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZ7MWQ6Kvj9
Name 2-(5-Propyl-[1,3,4]thiadiazol-2-yl)-benzo[de]isoquinoline-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 323.072847843 u
Formula C17H13N3O2S
InChI InChI=1S/C17H13N3O2S/c1-2-5-13-18-19-17(23-13)20-15(21)11-8-3-6-10-7-4-9-12(14(10)11)16(20)22/h3-4,6-9H,2,5H2,1H3
InChIKey JTZGGOIJKMCNNO-UHFFFAOYSA-N
Molecular Weight 323.370 g/mol
SMILES C=1(N2C(C3=CC=CC4=C3C(C2=O)=CC=C4)=O)SC(CCC)=NN1