| SpectraBase Spectrum ID |
BQBUJiScDoe |
| Name |
Sebacic acid, ethyl 4-methylbenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-3-23-19(21)10-8-6-4-5-7-9-11-20(22)24-16-18-14-12-17(2)13-15-18/h12-15H,3-11,16H2,1-2H3 |
| InChIKey |
TYLKCRBKTZPJCU-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C(CCCCCCC(OCC)=O)CC(OCC=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990059 |
