| SpectraBase Spectrum ID |
7f5lYY8co9P |
| Name |
Sebacic acid, butyl 4-methylbenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-3-4-17-25-21(23)11-9-7-5-6-8-10-12-22(24)26-18-20-15-13-19(2)14-16-20/h13-16H,3-12,17-18H2,1-2H3 |
| InChIKey |
XCHVHMCLWPNDLH-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C(CCCCCCC(OCCCC)=O)CC(OCC=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917643 |
