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3-(6-Bromo-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propionic acid

View entire compound with spectra: 1 NMR

3-(6-Bromo-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propionic acid
SpectraBase Compound ID BVSLxAsK61P
InChI InChI=1S/C15H10BrNO4/c16-11-5-4-10-13-8(11)2-1-3-9(13)14(20)17(15(10)21)7-6-12(18)19/h1-5H,6-7H2,(H,18,19)
InChIKey CJDSOGRMZZYECA-UHFFFAOYSA-N
Mol Weight 348.15 g/mol
Molecular Formula C15H10BrNO4
Exact Mass 346.979321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62raEpCS8K3
Name 3-(6-Bromo-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propionic acid
Comments Computed using HOSE algorithm
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Exact Mass 346.979320802 u
Formula C15H10BrNO4
InChI InChI=1S/C15H10BrNO4/c16-11-5-4-10-13-8(11)2-1-3-9(13)14(20)17(15(10)21)7-6-12(18)19/h1-5H,6-7H2,(H,18,19)
InChIKey CJDSOGRMZZYECA-UHFFFAOYSA-N
Molecular Weight 348.152 g/mol
SMILES C1(N(C(C=2C3=C(C(=CC=C13)Br)C=CC2)=O)CCC(=O)O)=O