| SpectraBase Spectrum ID |
8JAddCjfpfS |
| Name |
L-Isoleucine, N-allyloxycarbonyl-, butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.178358285 u |
| Formula |
C14H25NO4 |
| InChI |
InChI=1S/C14H25NO4/c1-5-8-10-18-13(16)12(11(4)7-3)15-14(17)19-9-6-2/h6,11-12H,2,5,7-10H2,1,3-4H3,(H,15,17) |
| InChIKey |
AGGBBYORRMDCHQ-UHFFFAOYSA-N |
| Molecular Weight |
271.357 g/mol |
| SMILES |
C=CCOC(NC(C(CC)C)C(OCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822888 |
