| SpectraBase Spectrum ID |
6an9ekMRlH5 |
| Name |
Sebacic acid, di(2-methylbenzyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.245709571 u |
| Formula |
C26H34O4 |
| InChI |
InChI=1S/C26H34O4/c1-21-13-9-11-15-23(21)19-29-25(27)17-7-5-3-4-6-8-18-26(28)30-20-24-16-12-10-14-22(24)2/h9-16H,3-8,17-20H2,1-2H3 |
| InChIKey |
WLWZPKIVZLSVEU-UHFFFAOYSA-N |
| Molecular Weight |
410.554 g/mol |
| SMILES |
C(CCCCCCC(OCC=1C(C)=CC=CC1)=O)CC(OCC=1C(C)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857917 |
