| SpectraBase Spectrum ID |
4jzx4CJqbGR |
| Name |
Sebacic acid, 4-methoxybenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.224974125 u |
| Formula |
C21H32O5 |
| InChI |
InChI=1S/C21H32O5/c1-3-16-25-20(22)10-8-6-4-5-7-9-11-21(23)26-17-18-12-14-19(24-2)15-13-18/h12-15H,3-11,16-17H2,1-2H3 |
| InChIKey |
MXMNYGXWABSSEE-UHFFFAOYSA-N |
| Molecular Weight |
364.482 g/mol |
| SMILES |
C(CCCCCCC(OCC1=CC=C(OC)C=C1)=O)CC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982174 |
