| SpectraBase Spectrum ID |
9wQarps7TYr |
| Name |
Sebacic acid, ethyl 4-phenoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.224974125 u |
| Formula |
C25H32O5 |
| InChI |
InChI=1S/C25H32O5/c1-2-28-24(26)14-10-5-3-4-6-11-15-25(27)29-20-21-16-18-23(19-17-21)30-22-12-8-7-9-13-22/h7-9,12-13,16-19H,2-6,10-11,14-15,20H2,1H3 |
| InChIKey |
AQOUIRFQIQVGMH-UHFFFAOYSA-N |
| Molecular Weight |
412.526 g/mol |
| SMILES |
C(C(OCC1=CC=C(C=C1)OC1=CC=CC=C1)=O)CCCCCCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964983 |
