| SpectraBase Compound ID | 8rMlMkash6q |
|---|---|
| InChI | InChI=1S/C21H35NO4/c1-4-5-6-7-8-9-10-11-12-15-26-21(24)19(17(2)3)22-20(23)18-14-13-16-25-18/h13-14,16-17,19H,4-12,15H2,1-3H3,(H,22,23) |
| InChIKey | WWZLCYXTNJSOPU-UHFFFAOYSA-N |
| Mol Weight | 365.5 g/mol |
| Molecular Formula | C21H35NO4 |
| Exact Mass | 365.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 79JAKHPyYv7 |
|---|---|
| Name | L-Valine, N-(2-furoyl)-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.256608607 u |
| Formula | C21H35NO4 |
| InChI | InChI=1S/C21H35NO4/c1-4-5-6-7-8-9-10-11-12-15-26-21(24)19(17(2)3)22-20(23)18-14-13-16-25-18/h13-14,16-17,19H,4-12,15H2,1-3H3,(H,22,23) |
| InChIKey | WWZLCYXTNJSOPU-UHFFFAOYSA-N |
| Molecular Weight | 365.514 g/mol |
| SMILES | C(NC(C(C)C)C(=O)OCCCCCCCCCCC)(=O)C1=CC=CO1 |