| SpectraBase Spectrum ID |
FxwqxRl6V0Z |
| Name |
Sebacic acid, 2-phenoxyethyl 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/c1-2-16-25-20(22)14-10-5-3-4-6-11-15-21(23)26-18-17-24-19-12-8-7-9-13-19/h7-9,12-13H,2-6,10-11,14-18H2,1H3 |
| InChIKey |
KWOCQBYIVNGOJO-UHFFFAOYSA-N |
| Molecular Weight |
364.482 g/mol |
| SMILES |
C(CCCCCCC(OCCC)=O)CC(OCCOC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971939 |
