| SpectraBase Spectrum ID |
K9EttSYksyI |
| Name |
Octadecanoic acid 4-methyl-benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.334130655 u |
| Formula |
C26H44O2 |
| InChI |
InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(27)28-23-25-21-19-24(2)20-22-25/h19-22H,3-18,23H2,1-2H3 |
| InChIKey |
LOMGIIDRYZXWLY-UHFFFAOYSA-N |
| Molecular Weight |
388.636 g/mol |
| SMILES |
C=1(C=CC(=CC1)C)COC(CCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858657 |
