| SpectraBase Compound ID | KcielGlBRlL |
|---|---|
| InChI | InChI=1S/C8H17NO2/c1-6(2)5-7(9-3)8(10)11-4/h6-7,9H,5H2,1-4H3 |
| InChIKey | NYXMJFGTJZTHPT-UHFFFAOYSA-N |
| Mol Weight | 159.23 g/mol |
| Molecular Formula | C8H17NO2 |
| Exact Mass | 159.125929 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9sKiVPiKA3Y |
|---|---|
| Name | L-Leucine, N-methyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.125928789 u |
| Formula | C8H17NO2 |
| InChI | InChI=1S/C8H17NO2/c1-6(2)5-7(9-3)8(10)11-4/h6-7,9H,5H2,1-4H3 |
| InChIKey | NYXMJFGTJZTHPT-UHFFFAOYSA-N |
| Molecular Weight | 159.229 g/mol |
| SMILES | COC(C(CC(C)C)NC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911123 |