| SpectraBase Spectrum ID |
3AuIUuqjanj |
| Name |
Sebacic acid, ethyl 4-methoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.209324061 u |
| Formula |
C20H30O5 |
| InChI |
InChI=1S/C20H30O5/c1-3-24-19(21)10-8-6-4-5-7-9-11-20(22)25-16-17-12-14-18(23-2)15-13-17/h12-15H,3-11,16H2,1-2H3 |
| InChIKey |
DTOXYHHCVMWSQT-UHFFFAOYSA-N |
| Molecular Weight |
350.455 g/mol |
| SMILES |
C(CCCCCCC(OCC1=CC=C(OC)C=C1)=O)CC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988011 |
