| SpectraBase Compound ID | 1yndtguUlvH |
|---|---|
| InChI | InChI=1S/C16H29NO3/c1-6-7-8-9-10-20-16(19)15(13(4)5)17-14(18)11-12(2)3/h11,13,15H,6-10H2,1-5H3,(H,17,18) |
| InChIKey | KQVAHKLHMYTIKP-UHFFFAOYSA-N |
| Mol Weight | 283.41 g/mol |
| Molecular Formula | C16H29NO3 |
| Exact Mass | 283.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2nfCN3MrJ9L |
|---|---|
| Name | L-Valine, N-(3-methylbut-2-enoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.214743795 u |
| Formula | C16H29NO3 |
| InChI | InChI=1S/C16H29NO3/c1-6-7-8-9-10-20-16(19)15(13(4)5)17-14(18)11-12(2)3/h11,13,15H,6-10H2,1-5H3,(H,17,18) |
| InChIKey | KQVAHKLHMYTIKP-UHFFFAOYSA-N |
| SMILES | C(C(C)C)(C(=O)OCCCCCC)NC(=O)C=C(C)C |