| SpectraBase Spectrum ID |
7QcW4tQNlau |
| Name |
Methyl (Z)-octadec-11-enoyl-L-leucinate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.355594374 u |
| Formula |
C25H47NO3 |
| InChI |
InChI=1S/C25H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)26-23(21-22(2)3)25(28)29-4/h10-11,22-23H,5-9,12-21H2,1-4H3,(H,26,27)/b11-10- |
| InChIKey |
DPXOBEZLUIWQRJ-KHPPLWFESA-N |
| Molecular Weight |
409.655 g/mol |
| SMILES |
C(C(NC(CCCCCCCCC\C=C/CCCCCC)=O)CC(C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894626 |
