| SpectraBase Spectrum ID |
Jvn6CYfopUp |
| Name |
Sebacic acid, di(3-phenylpropyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.277009700 u |
| Formula |
C28H38O4 |
| InChI |
InChI=1S/C28H38O4/c29-27(31-23-13-19-25-15-7-5-8-16-25)21-11-3-1-2-4-12-22-28(30)32-24-14-20-26-17-9-6-10-18-26/h5-10,15-18H,1-4,11-14,19-24H2 |
| InChIKey |
CRXFAJURMHBZRK-UHFFFAOYSA-N |
| Molecular Weight |
438.608 g/mol |
| SMILES |
C(CCCCCCC(OCCCC1=CC=CC=C1)=O)CC(OCCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809572 |
