| SpectraBase Compound ID | 9HbRYMvUvMr |
|---|---|
| InChI | InChI=1S/C15H29NO4/c1-5-7-8-10-19-14(17)13(11-12(3)4)16-15(18)20-9-6-2/h12-13H,5-11H2,1-4H3,(H,16,18) |
| InChIKey | QFNGEWXWVPSEIB-UHFFFAOYSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C15H29NO4 |
| Exact Mass | 287.209658 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hq41YBecj1Z |
|---|---|
| Name | L-Leucine, N-propoxycarbonyl-, pentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.209658414 u |
| Formula | C15H29NO4 |
| InChI | InChI=1S/C15H29NO4/c1-5-7-8-10-19-14(17)13(11-12(3)4)16-15(18)20-9-6-2/h12-13H,5-11H2,1-4H3,(H,16,18) |
| InChIKey | QFNGEWXWVPSEIB-UHFFFAOYSA-N |
| SMILES | CCCOC(NC(CC(C)C)C(OCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927493 |