| SpectraBase Spectrum ID |
7w7L99djGW7 |
| Name |
Sebacic acid, 4-methylbenzyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.261359635 u |
| Formula |
C23H36O4 |
| InChI |
InChI=1S/C23H36O4/c1-3-4-11-18-26-22(24)12-9-7-5-6-8-10-13-23(25)27-19-21-16-14-20(2)15-17-21/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey |
FCWJOVCBVWSVHX-UHFFFAOYSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
C(CCCCCCC(OCCCCC)=O)CC(OCC=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874358 |
