| SpectraBase Compound ID | 9TSW4ueBqPW |
|---|---|
| InChI | InChI=1S/C21H41NO4/c1-4-5-6-7-8-9-10-14-17-25-20(23)15-12-11-13-16-22-21(24)26-18-19(2)3/h19H,4-18H2,1-3H3,(H,22,24) |
| InChIKey | CWXHYRVFAJUDBQ-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 | 40viX8g2Ab4 |
|---|---|
| Name | 6-Aminocaproic acid, N-isobutoxycarbonyl-, decyl 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/c1-4-5-6-7-8-9-10-14-17-25-20(23)15-12-11-13-16-22-21(24)26-18-19(2)3/h19H,4-18H2,1-3H3,(H,22,24) |
| InChIKey | CWXHYRVFAJUDBQ-UHFFFAOYSA-N |
| Molecular Weight | 371.562 g/mol |
| SMILES | C(COC(NCCCCCC(OCCCCCCCCCC)=O)=O)(C)C |