| SpectraBase Spectrum ID |
9e7okA9afo0 |
| Name |
L-Isoleucine, N-methoxycarbonyl-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.319208865 u |
| Formula |
C22H43NO4 |
| InChI |
InChI=1S/C22H43NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-27-21(24)20(19(3)6-2)23-22(25)26-4/h19-20H,5-18H2,1-4H3,(H,23,25) |
| InChIKey |
XOYTVEHNTAHCDT-UHFFFAOYSA-N |
| Molecular Weight |
385.589 g/mol |
| SMILES |
COC(NC(C(CC)C)C(OCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830238 |
