| SpectraBase Compound ID | AgRYkjdAWXd |
|---|---|
| InChI | InChI=1S/C26H30N2O5/c1-3-33-24(30)17-22(19-14-12-18(2)13-15-19)27-23(29)11-5-4-8-16-28-25(31)20-9-6-7-10-21(20)26(28)32/h6-7,9-10,12-15,22H,3-5,8,11,16-17H2,1-2H3,(H,27,29) |
| InChIKey | KSKFCDWMPQAYOA-UHFFFAOYSA-N |
| Mol Weight | 450.54 g/mol |
| Molecular Formula | C26H30N2O5 |
| Exact Mass | 450.215472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 33vVn4Dx4gM |
|---|---|
| Name | 3-(6-Phthalimidohexanoylamino)-3-(p-tolyl)propionic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.215472069 u |
| Formula | C26H30N2O5 |
| InChI | InChI=1S/C26H30N2O5/c1-3-33-24(30)17-22(19-14-12-18(2)13-15-19)27-23(29)11-5-4-8-16-28-25(31)20-9-6-7-10-21(20)26(28)32/h6-7,9-10,12-15,22H,3-5,8,11,16-17H2,1-2H3,(H,27,29) |
| InChIKey | KSKFCDWMPQAYOA-UHFFFAOYSA-N |
| Molecular Weight | 450.535 g/mol |
| SMILES | CCOC(CC(NC(CCCCCN1C(C=2C=CC=CC2C1=O)=O)=O)C1=CC=C(C=C1)C)=O |