| SpectraBase Compound ID | Dhe1SdVEAe |
|---|---|
| InChI | InChI=1S/C18H33NO3/c1-6-7-8-9-10-11-12-22-18(21)17(15(4)5)19-16(20)13-14(2)3/h13,15,17H,6-12H2,1-5H3,(H,19,20) |
| InChIKey | JWGONWAWBPYNBZ-UHFFFAOYSA-N |
| Mol Weight | 311.5 g/mol |
| Molecular Formula | C18H33NO3 |
| Exact Mass | 311.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96MU6GVPHMO |
|---|---|
| Name | L-Valine, N-(3-methylbut-2-enoyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.246043924 u |
| Formula | C18H33NO3 |
| InChI | InChI=1S/C18H33NO3/c1-6-7-8-9-10-11-12-22-18(21)17(15(4)5)19-16(20)13-14(2)3/h13,15,17H,6-12H2,1-5H3,(H,19,20) |
| InChIKey | JWGONWAWBPYNBZ-UHFFFAOYSA-N |
| SMILES | C(C(C)C)(C(=O)OCCCCCCCC)NC(=O)C=C(C)C |