| SpectraBase Spectrum ID |
IoZrZPO8PZA |
| Name |
L-Alanyl-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 |
302.184171940 u |
| Formula |
C14H26N2O5 |
| InChI |
InChI=1S/C14H26N2O5/c1-6-9(4)11(13(18)20-7-2)16-12(17)10(5)15-14(19)21-8-3/h9-11H,6-8H2,1-5H3,(H,15,19)(H,16,17) |
| InChIKey |
YMOCVRQGWYCQNQ-UHFFFAOYSA-N |
| Molecular Weight |
302.371 g/mol |
| SMILES |
CCOC(=O)NC(C)C(NC(C(OCC)=O)C(C)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800606 |
