| SpectraBase Compound ID | EVwUtEzLNZ7 |
|---|---|
| InChI | InChI=1S/C18H33NO4/c1-4-7-9-11-13-16(19-18(21)23-14-6-3)17(20)22-15-12-10-8-5-2/h6,16H,3-5,7-15H2,1-2H3,(H,19,21) |
| InChIKey | VMFDHNMWDFQQBU-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 | 7anCXd7xujU |
|---|---|
| Name | 2-Aminocaprylic acid, N-allyloxycarbonyl-, hexyl 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/c1-4-7-9-11-13-16(19-18(21)23-14-6-3)17(20)22-15-12-10-8-5-2/h6,16H,3-5,7-15H2,1-2H3,(H,19,21) |
| InChIKey | VMFDHNMWDFQQBU-UHFFFAOYSA-N |
| Molecular Weight | 327.465 g/mol |
| SMILES | C(C(NC(OCC=C)=O)C(=O)OCCCCCC)CCCCC |