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N-(4'-Nitrobenzyl)canthadin-imide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-(4'-Nitrobenzyl)canthadin-imide
SpectraBase Compound ID KURamWLivWr
InChI InChI=1S/C17H18N2O5/c1-16-12-7-8-13(24-12)17(16,2)15(21)18(14(16)20)9-10-3-5-11(6-4-10)19(22)23/h3-6,12-13H,7-9H2,1-2H3/t12?,13?,16-,17+
InChIKey PWWNEAHNLAODOR-QDIASNEPSA-N
Mol Weight 330.34 g/mol
Molecular Formula C17H18N2O5
Exact Mass 330.121572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2nhoPdVOoEn
Name N-(4'-Nitrobenzyl)canthadin-imide
Comments Computed using HOSE algorithm
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Exact Mass 330.121571683 u
Formula C17H18N2O5
InChI InChI=1S/C17H18N2O5/c1-16-12-7-8-13(24-12)17(16,2)15(21)18(14(16)20)9-10-3-5-11(6-4-10)19(22)23/h3-6,12-13H,7-9H2,1-2H3/t12?,13?,16-,17+
InChIKey PWWNEAHNLAODOR-QDIASNEPSA-N
Molecular Weight 330.340 g/mol
SMILES [C@@]12([C@@](C(=O)N(C2=O)CC=2C=CC(N(=O)=O)=CC2)(C2OC1CC2)C)C