| SpectraBase Spectrum ID |
K8o6lqr80zX |
| Name |
Phthalic acid, heptyl 2-pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-4-6-7-8-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16(3)12-5-2/h9-10,13-14,16H,4-8,11-12,15H2,1-3H3 |
| InChIKey |
JTRWPLKPSWIWSF-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C(C1=C(C=CC=C1)C(OC(C)CCC)=O)(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84156 |
