| SpectraBase Spectrum ID |
9wZBi66nCps |
| Name |
L-Isoleucine, N-allyloxycarbonyl-, allyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.147058156 u |
| Formula |
C13H21NO4 |
| InChI |
InChI=1S/C13H21NO4/c1-5-8-17-12(15)11(10(4)7-3)14-13(16)18-9-6-2/h5-6,10-11H,1-2,7-9H2,3-4H3,(H,14,16) |
| InChIKey |
SEYUFVSXTOLZBE-UHFFFAOYSA-N |
| Molecular Weight |
255.314 g/mol |
| SMILES |
C=CCOC(NC(C(C)CC)C(OCC=C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801956 |
