| SpectraBase Compound ID | LlT4MgeG7Ju |
|---|---|
| InChI | InChI=1S/C17H31NO3/c1-6-7-8-9-10-11-21-17(20)16(14(4)5)18-15(19)12-13(2)3/h12,14,16H,6-11H2,1-5H3,(H,18,19) |
| InChIKey | OXCDCQWYQJSHMV-UHFFFAOYSA-N |
| Mol Weight | 297.44 g/mol |
| Molecular Formula | C17H31NO3 |
| Exact Mass | 297.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EN78sUXP2xh |
|---|---|
| Name | L-Valine, N-(3-methylbut-2-enoyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.230393859 u |
| Formula | C17H31NO3 |
| InChI | InChI=1S/C17H31NO3/c1-6-7-8-9-10-11-21-17(20)16(14(4)5)18-15(19)12-13(2)3/h12,14,16H,6-11H2,1-5H3,(H,18,19) |
| InChIKey | OXCDCQWYQJSHMV-UHFFFAOYSA-N |
| SMILES | C(C(C(=O)OCCCCCCC)NC(=O)C=C(C)C)(C)C |