| SpectraBase Compound ID | J9ixmPtXUzY |
|---|---|
| InChI | InChI=1S/C21H39NO4/c1-5-7-9-10-11-12-13-14-15-17-25-20(23)19(18(3)4)22-21(24)26-16-8-6-2/h5,18-19H,1,6-17H2,2-4H3,(H,22,24) |
| InChIKey | CTQZIFZBIHKDEL-UHFFFAOYSA-N |
| Mol Weight | 369.5 g/mol |
| Molecular Formula | C21H39NO4 |
| Exact Mass | 369.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8o26nH0r6fY |
|---|---|
| Name | L-Valine, N-butoxycarbonyl-, undec-10-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.287908736 u |
| Formula | C21H39NO4 |
| InChI | InChI=1S/C21H39NO4/c1-5-7-9-10-11-12-13-14-15-17-25-20(23)19(18(3)4)22-21(24)26-16-8-6-2/h5,18-19H,1,6-17H2,2-4H3,(H,22,24) |
| InChIKey | CTQZIFZBIHKDEL-UHFFFAOYSA-N |
| Molecular Weight | 369.546 g/mol |
| SMILES | CCCCOC(NC(C(OCCCCCCCCCC=C)=O)C(C)C)=O |