| SpectraBase Spectrum ID |
FmlumZNVU1X |
| Name |
Sebacic acid, ethyl 4-isopropoxyphenyl 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/c1-4-24-20(22)11-9-7-5-6-8-10-12-21(23)26-19-15-13-18(14-16-19)25-17(2)3/h13-17H,4-12H2,1-3H3 |
| InChIKey |
ULVKGGITVFFQFG-UHFFFAOYSA-N |
| Molecular Weight |
364.482 g/mol |
| SMILES |
C(CCCCCCCC(OC1=CC=C(OC(C)C)C=C1)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94898 |
