| SpectraBase Compound ID | GQ6lU301dau |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-5-7-9-10-11-15(16(19)22-13-14(3)4)18-17(20)21-12-8-6-2/h14-15H,5-13H2,1-4H3,(H,18,20) |
| InChIKey | DSFULUKHDYKDBE-UHFFFAOYSA-N |
| Mol Weight | 315.5 g/mol |
| Molecular Formula | C17H33NO4 |
| Exact Mass | 315.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7QjXGxtgnWn |
|---|---|
| Name | 2-Aminocaprylic acid, N-butoxycarbonyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.240958543 u |
| Formula | C17H33NO4 |
| InChI | InChI=1S/C17H33NO4/c1-5-7-9-10-11-15(16(19)22-13-14(3)4)18-17(20)21-12-8-6-2/h14-15H,5-13H2,1-4H3,(H,18,20) |
| InChIKey | DSFULUKHDYKDBE-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | CCCCOC(NC(C(OCC(C)C)=O)CCCCCC)=O |