| SpectraBase Compound ID | JwQZcQTumD7 |
|---|---|
| InChI | InChI=1S/C16H29NO4/c1-6-8-14(17-16(19)21-11-13(4)5)15(18)20-10-7-9-12(2)3/h6,12-14H,1,7-11H2,2-5H3,(H,17,19) |
| InChIKey | ZVOAYOVDMPEILK-UHFFFAOYSA-N |
| Mol Weight | 299.41 g/mol |
| Molecular Formula | C16H29NO4 |
| Exact Mass | 299.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ln9LDUW9ifq |
|---|---|
| Name | L-Allylglycine, N-isobutoxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.209658414 u |
| Formula | C16H29NO4 |
| InChI | InChI=1S/C16H29NO4/c1-6-8-14(17-16(19)21-11-13(4)5)15(18)20-10-7-9-12(2)3/h6,12-14H,1,7-11H2,2-5H3,(H,17,19) |
| InChIKey | ZVOAYOVDMPEILK-UHFFFAOYSA-N |
| SMILES | C(C(NC(OCC(C)C)=O)C(=O)OCCCC(C)C)C=C |