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6-[(2-Aminophenyl)sulfanyl]-1H,3H-benzo[de]isochromene-1,3-dione
SpectraBase Compound ID 43x8Nsh1GRM
InChI InChI=1S/C18H11NO3S/c19-13-6-1-2-7-15(13)23-14-9-8-12-16-10(14)4-3-5-11(16)17(20)22-18(12)21/h1-9H,19H2
InChIKey INCMZXBJTDCMCP-UHFFFAOYSA-N
Mol Weight 321.35 g/mol
Molecular Formula C18H11NO3S
Exact Mass 321.045964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJL16cpaoeO
Name 6-[(2-Aminophenyl)sulfanyl]-1H,3H-benzo[de]isochromene-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 321.045964389 u
Formula C18H11NO3S
InChI InChI=1S/C18H11NO3S/c19-13-6-1-2-7-15(13)23-14-9-8-12-16-10(14)4-3-5-11(16)17(20)22-18(12)21/h1-9H,19H2
InChIKey INCMZXBJTDCMCP-UHFFFAOYSA-N
Molecular Weight 321.350 g/mol
SMILES C1(SC2=C3C4=C(C=C2)C(=O)OC(C4=CC=C3)=O)=C(C=CC=C1)N