![7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[(4-methylphenyl)(phenyl)methyl]heptanamide](/api/spectrum/Ad9T3GFNoQp/structure.png?h=300&w=458 "7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[(4-methylphenyl)(phenyl)methyl]heptanamide")
| SpectraBase Compound ID | 8hAPXJHBM7p |
|---|---|
| InChI | InChI=1S/C29H30N2O3/c1-21-16-18-23(19-17-21)27(22-11-5-4-6-12-22)30-26(32)15-7-2-3-10-20-31-28(33)24-13-8-9-14-25(24)29(31)34/h4-6,8-9,11-14,16-19,27H,2-3,7,10,15,20H2,1H3,(H,30,32) |
| InChIKey | CLSQTZCQEBXZOQ-UHFFFAOYSA-N |
| Mol Weight | 454.57 g/mol |
| Molecular Formula | C29H30N2O3 |
| Exact Mass | 454.225643 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ad9T3GFNoQp |
|---|---|
| Name | 7-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[(4-methylphenyl)(phenyl)methyl]heptanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.225642831 u |
| Formula | C29H30N2O3 |
| InChI | InChI=1S/C29H30N2O3/c1-21-16-18-23(19-17-21)27(22-11-5-4-6-12-22)30-26(32)15-7-2-3-10-20-31-28(33)24-13-8-9-14-25(24)29(31)34/h4-6,8-9,11-14,16-19,27H,2-3,7,10,15,20H2,1H3,(H,30,32) |
| InChIKey | CLSQTZCQEBXZOQ-UHFFFAOYSA-N |
| Molecular Weight | 454.570 g/mol |
| SMILES | N(C(C1=CC=C(C=C1)C)C1=CC=CC=C1)C(CCCCCCN1C(C2=CC=CC=C2C1=O)=O)=O |