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2-(2-bromophenyl)-4H-isoquinoline-1,3-dione
SpectraBase Compound ID CbPXmwrEZjG
InChI InChI=1S/C15H10BrNO2/c16-12-7-3-4-8-13(12)17-14(18)9-10-5-1-2-6-11(10)15(17)19/h1-8H,9H2
InChIKey NTHUUXAHNAJLIJ-UHFFFAOYSA-N
Mol Weight 316.15 g/mol
Molecular Formula C15H10BrNO2
Exact Mass 314.989492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9hVBQRuR3P
Name 2-(2-Bromophenyl)-4H-isoquinoline-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 314.989491564 u
Formula C15H10BrNO2
InChI InChI=1S/C15H10BrNO2/c16-12-7-3-4-8-13(12)17-14(18)9-10-5-1-2-6-11(10)15(17)19/h1-8H,9H2
InChIKey NTHUUXAHNAJLIJ-UHFFFAOYSA-N
Molecular Weight 316.154 g/mol
SMILES C1(N(C(CC=2C=CC=CC12)=O)C=1C(=CC=CC1)Br)=O