| SpectraBase Spectrum ID |
Dih9PHnLI2P |
| Name |
Isophthalic acid, pentyl 1-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.183109313 u |
| Formula |
C22H26O4 |
| InChI |
InChI=1S/C22H26O4/c1-3-5-9-15-25-21(23)18-13-10-14-19(16-18)22(24)26-20(4-2)17-11-7-6-8-12-17/h6-8,10-14,16,20H,3-5,9,15H2,1-2H3 |
| InChIKey |
NYPUOBZOZSEJMH-UHFFFAOYSA-N |
| Molecular Weight |
354.446 g/mol |
| SMILES |
C(C(OC(C1=CC(=CC=C1)C(OCCCCC)=O)=O)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855348 |
