| SpectraBase Compound ID | 3eTv3qTG2zq |
|---|---|
| InChI | InChI=1S/C22H41NO4/c1-5-7-8-9-10-11-12-13-14-15-16-18-26-21(24)20(19(3)4)23-22(25)27-17-6-2/h6,19-20H,2,5,7-18H2,1,3-4H3,(H,23,25) |
| InChIKey | ARBGAHLUYPCMLI-UHFFFAOYSA-N |
| Mol Weight | 383.6 g/mol |
| Molecular Formula | C22H41NO4 |
| Exact Mass | 383.303559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87rhULbZlyS |
|---|---|
| Name | L-Valine, N-allyloxycarbonyl-, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.303558800 u |
| Formula | C22H41NO4 |
| InChI | InChI=1S/C22H41NO4/c1-5-7-8-9-10-11-12-13-14-15-16-18-26-21(24)20(19(3)4)23-22(25)27-17-6-2/h6,19-20H,2,5,7-18H2,1,3-4H3,(H,23,25) |
| InChIKey | ARBGAHLUYPCMLI-UHFFFAOYSA-N |
| Molecular Weight | 383.573 g/mol |
| SMILES | C(OC(C(NC(OCC=C)=O)C(C)C)=O)CCCCCCCCCCCC |