| SpectraBase Spectrum ID |
59PTUYg73L |
| Name |
L-Isoleucine, N-ethoxycarbonyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.147058156 u |
| Formula |
C11H21NO4 |
| InChI |
InChI=1S/C11H21NO4/c1-5-8(4)9(10(13)15-6-2)12-11(14)16-7-3/h8-9H,5-7H2,1-4H3,(H,12,14) |
| InChIKey |
QWEPDWDDDFDYLM-UHFFFAOYSA-N |
| Molecular Weight |
231.292 g/mol |
| SMILES |
C(OC(NC(C(OCC)=O)C(CC)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84276 |
