| SpectraBase Spectrum ID |
1MCqdO0TSbG |
| Name |
Sebacic acid, 4-acetylphenyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.209324061 u |
| Formula |
C21H30O5 |
| InChI |
InChI=1S/C21H30O5/c1-3-16-25-20(23)10-8-6-4-5-7-9-11-21(24)26-19-14-12-18(13-15-19)17(2)22/h12-15H,3-11,16H2,1-2H3 |
| InChIKey |
QFJRZYDJBZEEOW-UHFFFAOYSA-N |
| Molecular Weight |
362.466 g/mol |
| SMILES |
C(CCCCC(OC1=CC=C(C(C)=O)C=C1)=O)CCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895955 |
