| SpectraBase Spectrum ID |
1ZquIww8adb |
| Name |
1-Eicosanol, 2-hexadecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
522.573967002 u |
| Formula |
C36H74O |
| InChI |
InChI=1S/C36H74O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36(35-37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36-37H,3-35H2,1-2H3 |
| InChIKey |
JQJGGMZIMBGQQY-UHFFFAOYSA-N |
| Molecular Weight |
522.987 g/mol |
| SMILES |
C(C)CCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932513 |
