| SpectraBase Spectrum ID |
FeBaaEHVHCF |
| Name |
L-Isoleucine, N-isobutoxycarbonyl-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.240958543 u |
| Formula |
C17H33NO4 |
| InChI |
InChI=1S/C17H33NO4/c1-7-14(6)15(18-17(20)22-11-13(4)5)16(19)21-10-8-9-12(2)3/h12-15H,7-11H2,1-6H3,(H,18,20) |
| InChIKey |
AJPIYIAGUFTNFJ-UHFFFAOYSA-N |
| Molecular Weight |
315.454 g/mol |
| SMILES |
CC(C)COC(NC(C(CC)C)C(OCCCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972648 |
