| SpectraBase Spectrum ID |
pQEaUxHRmq |
| Name |
Sebacic acid, 2-acetylphenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.193673997 u |
| Formula |
C20H28O5 |
| InChI |
InChI=1S/C20H28O5/c1-3-24-19(22)14-8-6-4-5-7-9-15-20(23)25-18-13-11-10-12-17(18)16(2)21/h10-13H,3-9,14-15H2,1-2H3 |
| InChIKey |
FFLJEEACDXMDSV-UHFFFAOYSA-N |
| Molecular Weight |
348.439 g/mol |
| SMILES |
C(CCCCC(OC1=C(C(C)=O)C=CC=C1)=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872212 |
