| SpectraBase Spectrum ID |
JE2Qo0NvQL7 |
| Name |
Methyl (methoxycarbonyl)-L-isoleucyl-L-isoleucinate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.199822005 u |
| Formula |
C15H28N2O5 |
| InChI |
InChI=1S/C15H28N2O5/c1-7-9(3)11(17-15(20)22-6)13(18)16-12(10(4)8-2)14(19)21-5/h9-12H,7-8H2,1-6H3,(H,16,18)(H,17,20) |
| InChIKey |
WWGDVEURTYDWGX-UHFFFAOYSA-N |
| Molecular Weight |
316.398 g/mol |
| SMILES |
C(C(NC(C(NC(=O)OC)C(CC)C)=O)C(CC)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966717 |
