| SpectraBase Spectrum ID |
7PPuYOArAQk |
| Name |
Phthalic acid, bis(2-pentyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-5-9-13(3)21-17(19)15-11-7-8-12-16(15)18(20)22-14(4)10-6-2/h7-8,11-14H,5-6,9-10H2,1-4H3 |
| InChIKey |
LGOBSDYKTFVEGD-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
CC(OC(C1=C(C=CC=C1)C(OC(C)CCC)=O)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922827 |
