| SpectraBase Spectrum ID |
EWUWFRwRaD9 |
| Name |
Sebacic acid, ethyl 2-phenoxyethyl 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/c1-2-23-19(21)14-10-5-3-4-6-11-15-20(22)25-17-16-24-18-12-8-7-9-13-18/h7-9,12-13H,2-6,10-11,14-17H2,1H3 |
| InChIKey |
MNWXXTPEGJXMNS-UHFFFAOYSA-N |
| Molecular Weight |
350.455 g/mol |
| SMILES |
C(CCCCCCC(OCC)=O)CC(OCCOC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984876 |
