| SpectraBase Spectrum ID |
EUAiuQXhKrs |
| Name |
Sebacic acid, 3-phenylpropyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c1-2-3-13-20-27-23(25)18-11-6-4-5-7-12-19-24(26)28-21-14-17-22-15-9-8-10-16-22/h8-10,15-16H,2-7,11-14,17-21H2,1H3 |
| InChIKey |
ZRNNZRWMEVEPRG-UHFFFAOYSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
C(CCCCCCC(OCCCC1=CC=CC=C1)=O)CC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93617 |
