| SpectraBase Spectrum ID |
2Dsf2ZtOZuj |
| Name |
Decanoic acid, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.428031041 u |
| Formula |
C28H56O2 |
| InChI |
InChI=1S/C28H56O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-30-28(29)26-24-22-20-10-8-6-4-2/h3-27H2,1-2H3 |
| InChIKey |
ZKGRELFDBYFQAZ-UHFFFAOYSA-N |
| Molecular Weight |
424.754 g/mol |
| SMILES |
C(CCCCC(OCCCCCCCCCCCCCCCCCC)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847569 |
