| SpectraBase Compound ID | GEGzLtI9xy8 |
|---|---|
| InChI | InChI=1S/C8H17NO2/c1-4-6(3)7(9)8(10)11-5-2/h6-7H,4-5,9H2,1-3H3/t6-,7-/m0/s1 |
| InChIKey | ICPWNTVICOHCML-BQBZGAKWSA-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 | AUYhsEa3aux |
|---|---|
| Name | L-Isoleucine, ethyl 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/c1-4-6(3)7(9)8(10)11-5-2/h6-7H,4-5,9H2,1-3H3/t6-,7-/m0/s1 |
| InChIKey | ICPWNTVICOHCML-BQBZGAKWSA-N |
| Molecular Weight | 159.229 g/mol |
| SMILES | C([C@]([C@](CC)(C)[H])(N)[H])(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899237 |