| SpectraBase Spectrum ID |
Cyv7s4W5Npo |
| Name |
17-Hexacosenoic acid, pyrrolidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.444015458 u |
| Formula |
C30H57NO |
| InChI |
InChI=1S/C30H57NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-30(32)31-28-25-26-29-31/h9-10H,2-8,11-29H2,1H3/b10-9- |
| InChIKey |
KLZSVBOOJOEIIK-KTKRTIGZSA-N |
| Molecular Weight |
447.792 g/mol |
| SMILES |
C(N1CCCC1)(CCCCCCCCCCCCCCC\C=C/CCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905896 |
