| SpectraBase Spectrum ID |
1HQ8UBer6kk |
| Name |
N-cis-Octadec-9Z-enoyl-L-homoserine lactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.292994117 u |
| Formula |
C22H39NO3 |
| InChI |
InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20-18-19-26-22(20)25/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)/b10-9- |
| InChIKey |
PYEKBLYUYSJMKS-KTKRTIGZSA-N |
| Molecular Weight |
365.558 g/mol |
| SMILES |
CCCCCCCC\C=C/CCCCCCCC(=O)NC1CCOC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935853 |
