| SpectraBase Compound ID | 7jaTZKW6g3Q |
|---|---|
| InChI | InChI=1S/C21H41NO4/c1-4-6-8-10-11-12-13-14-16-18-26-20(23)19(22-21(24)25-3)17-15-9-7-5-2/h19H,4-18H2,1-3H3,(H,22,24) |
| InChIKey | STHLDSUZVAWJLZ-UHFFFAOYSA-N |
| Mol Weight | 371.6 g/mol |
| Molecular Formula | C21H41NO4 |
| Exact Mass | 371.303559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7EJ5oukElS |
|---|---|
| Name | 2-Aminocaprylic acid, N-methoxycarbonyl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.303558800 u |
| Formula | C21H41NO4 |
| InChI | InChI=1S/C21H41NO4/c1-4-6-8-10-11-12-13-14-16-18-26-20(23)19(22-21(24)25-3)17-15-9-7-5-2/h19H,4-18H2,1-3H3,(H,22,24) |
| InChIKey | STHLDSUZVAWJLZ-UHFFFAOYSA-N |
| Molecular Weight | 371.562 g/mol |
| SMILES | C(CCCCC(NC(OC)=O)C(=O)OCCCCCCCCCCC)C |