| SpectraBase Spectrum ID |
Lcwo9qd5zfz |
| Name |
Pimelic 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 |
396.230059506 u |
| Formula |
C25H32O4 |
| InChI |
InChI=1S/C25H32O4/c26-24(28-20-10-16-22-12-4-1-5-13-22)18-8-3-9-19-25(27)29-21-11-17-23-14-6-2-7-15-23/h1-2,4-7,12-15H,3,8-11,16-21H2 |
| InChIKey |
LRPSWUFYPYNCOV-UHFFFAOYSA-N |
| Molecular Weight |
396.527 g/mol |
| SMILES |
C(OCCCC1=CC=CC=C1)(=O)CCCCCC(OCCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871139 |
