| SpectraBase Compound ID | BXxxg64YNmK |
|---|---|
| InChI | InChI=1S/C23H45NO4/c1-4-7-9-11-12-13-14-15-16-18-20-28-22(25)21(19-17-10-8-5-2)24-23(26)27-6-3/h21H,4-20H2,1-3H3,(H,24,26) |
| InChIKey | SNITZOLKMQRBGJ-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 | G4TJS43QnB4 |
|---|---|
| Name | 2-Aminocaprylic acid, N-ethoxycarbonyl-, dodecyl 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/c1-4-7-9-11-12-13-14-15-16-18-20-28-22(25)21(19-17-10-8-5-2)24-23(26)27-6-3/h21H,4-20H2,1-3H3,(H,24,26) |
| InChIKey | SNITZOLKMQRBGJ-UHFFFAOYSA-N |
| Molecular Weight | 399.616 g/mol |
| SMILES | CCCCCCC(NC(OCC)=O)C(=O)OCCCCCCCCCCCC |