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N-(4-Nitrophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-
SpectraBase Compound ID 47loRSv6zTE
InChI InChI=1S/C24H16N2O4/c27-23-21-19-15-5-1-2-6-16(15)20(18-8-4-3-7-17(18)19)22(21)24(28)25(23)13-9-11-14(12-10-13)26(29)30/h1-12,19-22H/t19-,20+,21?,22?
InChIKey MLBNTVOLHQHDMW-FDRBHKFBSA-N
Mol Weight 396.4 g/mol
Molecular Formula C24H16N2O4
Exact Mass 396.111007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E8wKdm6e9lu
Name N-(4-Nitrophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-
Comments Computed using HOSE algorithm
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Exact Mass 396.111006999 u
Formula C24H16N2O4
InChI InChI=1S/C24H16N2O4/c27-23-21-19-15-5-1-2-6-16(15)20(18-8-4-3-7-17(18)19)22(21)24(28)25(23)13-9-11-14(12-10-13)26(29)30/h1-12,19-22H/t19-,20+,21?,22?
InChIKey MLBNTVOLHQHDMW-FDRBHKFBSA-N
Molecular Weight 396.402 g/mol
SMILES c1ccc2c(c1)[C@]1(c3c([C@@]2(C2C1C(N(C2=O)c1ccc(cc1)N(=O)=O)=O)[H])cccc3)[H]