| SpectraBase Compound ID | 5br6zjevAsn |
|---|---|
| InChI | InChI=1S/C23H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28-22(25)19-16-15-17-20-24-23(26)27-2/h3-21H2,1-2H3,(H,24,26) |
| InChIKey | BSDSDAFZOUMNJQ-UHFFFAOYSA-N |
| Mol Weight | 399.6 g/mol |
| Molecular Formula | C23H45NO4 |
| Exact Mass | 399.334859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UqGWi8Ms9O |
|---|---|
| Name | 6-Aminocaproic acid, N-methoxycarbonyl-, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.334858929 u |
| Formula | C23H45NO4 |
| InChI | InChI=1S/C23H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28-22(25)19-16-15-17-20-24-23(26)27-2/h3-21H2,1-2H3,(H,24,26) |
| InChIKey | BSDSDAFZOUMNJQ-UHFFFAOYSA-N |
| Molecular Weight | 399.616 g/mol |
| SMILES | COC(NCCCCCC(OCCCCCCCCCCCCCCC)=O)=O |