| SpectraBase Compound ID | DvYLWaq6WvP |
|---|---|
| InChI | InChI=1S/C18H35NO4/c1-4-7-9-11-13-16(19-18(21)23-14-6-3)17(20)22-15-12-10-8-5-2/h16H,4-15H2,1-3H3,(H,19,21) |
| InChIKey | NJFXGNIWMGEAFA-UHFFFAOYSA-N |
| Mol Weight | 329.5 g/mol |
| Molecular Formula | C18H35NO4 |
| Exact Mass | 329.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GJuSIDkZKjN |
|---|---|
| Name | 2-Aminocaprylic acid, N-propoxycarbonyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.256608607 u |
| Formula | C18H35NO4 |
| InChI | InChI=1S/C18H35NO4/c1-4-7-9-11-13-16(19-18(21)23-14-6-3)17(20)22-15-12-10-8-5-2/h16H,4-15H2,1-3H3,(H,19,21) |
| InChIKey | NJFXGNIWMGEAFA-UHFFFAOYSA-N |
| Molecular Weight | 329.481 g/mol |
| SMILES | C(CC(NC(OCCC)=O)C(=O)OCCCCCC)CCCC |