| SpectraBase Compound ID | GAtVMAAlg1t |
|---|---|
| InChI | InChI=1S/C22H33NO5/c1-2-3-4-5-6-7-11-14-20(24)23-19(15-16-21(25)26)22(27)28-17-18-12-9-8-10-13-18/h8-10,12-13,19H,2-7,11,14-17H2,1H3,(H,23,24)(H,25,26) |
| InChIKey | ZHYUBPLDCDUONQ-UHFFFAOYSA-N |
| Mol Weight | 391.5 g/mol |
| Molecular Formula | C22H33NO5 |
| Exact Mass | 391.235873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ExOT03llOZY |
|---|---|
| Name | 2-Decanoylamino-pentanedioic acid 1-benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 391.235873162 u |
| Formula | C22H33NO5 |
| InChI | InChI=1S/C22H33NO5/c1-2-3-4-5-6-7-11-14-20(24)23-19(15-16-21(25)26)22(27)28-17-18-12-9-8-10-13-18/h8-10,12-13,19H,2-7,11,14-17H2,1H3,(H,23,24)(H,25,26) |
| InChIKey | ZHYUBPLDCDUONQ-UHFFFAOYSA-N |
| Molecular Weight | 391.508 g/mol |
| SMILES | C(C(NC(=O)CCCCCCCCC)CCC(=O)O)(OCC1=CC=CC=C1)=O |