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N-Benzothiazol-2-yl-4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyramide

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N-Benzothiazol-2-yl-4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyramide
SpectraBase Compound ID EKmcJtK1ddS
InChI InChI=1S/C19H15N3O3S/c23-16(21-19-20-14-8-3-4-9-15(14)26-19)10-5-11-22-17(24)12-6-1-2-7-13(12)18(22)25/h1-4,6-9H,5,10-11H2,(H,20,21,23)
InChIKey QLPSWPISMHRWRE-UHFFFAOYSA-N
Mol Weight 365.41 g/mol
Molecular Formula C19H15N3O3S
Exact Mass 365.083413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RClCifxiRE
Name N-Benzothiazol-2-yl-4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyramide
Comments Computed using HOSE algorithm
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Exact Mass 365.083412526 u
Formula C19H15N3O3S
InChI InChI=1S/C19H15N3O3S/c23-16(21-19-20-14-8-3-4-9-15(14)26-19)10-5-11-22-17(24)12-6-1-2-7-13(12)18(22)25/h1-4,6-9H,5,10-11H2,(H,20,21,23)
InChIKey QLPSWPISMHRWRE-UHFFFAOYSA-N
Molecular Weight 365.407 g/mol
SMILES C1(NC(=O)CCCN2C(C3=CC=CC=C3C2=O)=O)=NC2=CC=CC=C2S1