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Benzamide, 4-(2,3,3a,4,7,7a-hexahydro-4,7-methano-1,3-dioxo-2-isoindolyl)-N-phenyl-
SpectraBase Compound ID AZCYjXUE7Qy
InChI InChI=1S/C22H18N2O3/c25-20(23-16-4-2-1-3-5-16)13-8-10-17(11-9-13)24-21(26)18-14-6-7-15(12-14)19(18)22(24)27/h1-11,14-15,18-19H,12H2,(H,23,25)
InChIKey VLVGQOXLFOCCMK-UHFFFAOYSA-N
Mol Weight 358.4 g/mol
Molecular Formula C22H18N2O3
Exact Mass 358.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5R22FnLLmPb
Name Benzamide, 4-(2,3,3A,4,7,7A-hexahydro-4,7-methano-1,3-dioxo-2-isoindolyl)-N-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.131742445 u
Formula C22H18N2O3
InChI InChI=1S/C22H18N2O3/c25-20(23-16-4-2-1-3-5-16)13-8-10-17(11-9-13)24-21(26)18-14-6-7-15(12-14)19(18)22(24)27/h1-11,14-15,18-19H,12H2,(H,23,25)
InChIKey VLVGQOXLFOCCMK-UHFFFAOYSA-N
Molecular Weight 358.397 g/mol
SMILES C12C3C=CC(C2C(=O)N(C1=O)C1=CC=C(C=C1)C(=O)NC1=CC=CC=C1)C3