| SpectraBase Compound ID | 8L0jd5TQ0ag |
|---|---|
| InChI | InChI=1S/C17H31NO4/c1-5-7-8-9-10-11-13-21-16(19)15(14(3)4)18-17(20)22-12-6-2/h6,14-15H,2,5,7-13H2,1,3-4H3,(H,18,20) |
| InChIKey | BERCFXQUXQSNQJ-UHFFFAOYSA-N |
| Mol Weight | 313.44 g/mol |
| Molecular Formula | C17H31NO4 |
| Exact Mass | 313.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LlbxBMWYE6U |
|---|---|
| Name | L-Valine, N-allyloxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.225308478 u |
| Formula | C17H31NO4 |
| InChI | InChI=1S/C17H31NO4/c1-5-7-8-9-10-11-13-21-16(19)15(14(3)4)18-17(20)22-12-6-2/h6,14-15H,2,5,7-13H2,1,3-4H3,(H,18,20) |
| InChIKey | BERCFXQUXQSNQJ-UHFFFAOYSA-N |
| Molecular Weight | 313.438 g/mol |
| SMILES | C(OC(C(NC(OCC=C)=O)C(C)C)=O)CCCCCCC |