| SpectraBase Spectrum ID |
17vSmAe8Btu |
| Name |
Isophthalic 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 |
402.183109313 u |
| Formula |
C26H26O4 |
| InChI |
InChI=1S/C26H26O4/c27-25(29-18-8-14-21-10-3-1-4-11-21)23-16-7-17-24(20-23)26(28)30-19-9-15-22-12-5-2-6-13-22/h1-7,10-13,16-17,20H,8-9,14-15,18-19H2 |
| InChIKey |
YBJMCRKZWKBWDS-UHFFFAOYSA-N |
| Molecular Weight |
402.490 g/mol |
| SMILES |
C(OC(C1=CC(=CC=C1)C(OCCCC1=CC=CC=C1)=O)=O)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88759 |
