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4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid, tms

View entire compound with spectra: 1 NMR

4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid, tms
SpectraBase Compound ID 8q7nTlZJQGP
InChI InChI=1S/C19H21NO4Si/c1-25(2,3)24-16(21)11-6-12-20-18(22)14-9-4-7-13-8-5-10-15(17(13)14)19(20)23/h4-5,7-10H,6,11-12H2,1-3H3
InChIKey VBGDABWAXZYBIJ-UHFFFAOYSA-N
Mol Weight 355.47 g/mol
Molecular Formula C19H21NO4Si
Exact Mass 355.123985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBR4yPPchg5
Name 4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 355.123984691 u
Formula C19H21NO4Si
InChI InChI=1S/C19H21NO4Si/c1-25(2,3)24-16(21)11-6-12-20-18(22)14-9-4-7-13-8-5-10-15(17(13)14)19(20)23/h4-5,7-10H,6,11-12H2,1-3H3
InChIKey VBGDABWAXZYBIJ-UHFFFAOYSA-N
Molecular Weight 355.465 g/mol
SMILES C1(N(C(C=2C3=C(C=CC=C13)C=CC2)=O)CCCC(=O)O[Si](C)(C)C)=O