| SpectraBase Compound ID | 3U464MM8qKD |
|---|---|
| InChI | InChI=1S/C18H33NO4/c1-5-7-8-9-12-16(19-18(21)23-13-6-2)17(20)22-14-10-11-15(3)4/h6,15-16H,2,5,7-14H2,1,3-4H3,(H,19,21) |
| InChIKey | NXZSYLUMBZONMY-UHFFFAOYSA-N |
| Mol Weight | 327.5 g/mol |
| Molecular Formula | C18H33NO4 |
| Exact Mass | 327.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CzG7uoEKcdc |
|---|---|
| Name | 2-Aminocaprylic acid, N-allyloxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.240958543 u |
| Formula | C18H33NO4 |
| InChI | InChI=1S/C18H33NO4/c1-5-7-8-9-12-16(19-18(21)23-13-6-2)17(20)22-14-10-11-15(3)4/h6,15-16H,2,5,7-14H2,1,3-4H3,(H,19,21) |
| InChIKey | NXZSYLUMBZONMY-UHFFFAOYSA-N |
| Molecular Weight | 327.465 g/mol |
| SMILES | C(C(NC(OCC=C)=O)C(=O)OCCCC(C)C)CCCCC |