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2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-3-phenylpropanoate

View entire compound with spectra: 2 NMR

2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-3-phenylpropanoate
SpectraBase Compound ID HAogRLEcJWf
InChI InChI=1S/C26H22N2O7/c29-21(16-8-10-19(11-9-16)28(33)34)14-35-26(32)20(12-15-4-2-1-3-5-15)27-24(30)22-17-6-7-18(13-17)23(22)25(27)31/h1-11,17-18,20,22-23H,12-14H2
InChIKey LKVDQJQXVPBMDS-UHFFFAOYSA-N
Mol Weight 474.47 g/mol
Molecular Formula C26H22N2O7
Exact Mass 474.142701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CherCMgEiQT
Name 2-(4-Nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-3A,4,7,7A-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-3-phenylpropanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.142701049 u
Formula C26H22N2O7
InChI InChI=1S/C26H22N2O7/c29-21(16-8-10-19(11-9-16)28(33)34)14-35-26(32)20(12-15-4-2-1-3-5-15)27-24(30)22-17-6-7-18(13-17)23(22)25(27)31/h1-11,17-18,20,22-23H,12-14H2
InChIKey LKVDQJQXVPBMDS-UHFFFAOYSA-N
Molecular Weight 474.469 g/mol
SMILES C1=CC=C(CC(N2C(C3C4C=CC(C3C2=O)C4)=O)C(OCC(C=2C=CC(N(=O)=O)=CC2)=O)=O)C=C1