| SpectraBase Spectrum ID |
3tZY6MJZCt3 |
| Name |
Phthalic acid, butyl 4-octyl 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/c1-4-7-12-16(11-6-3)24-20(22)18-14-10-9-13-17(18)19(21)23-15-8-5-2/h9-10,13-14,16H,4-8,11-12,15H2,1-3H3 |
| InChIKey |
XNKIHSDVYXJECE-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
CCCCOC(C1=C(C(OC(CCCC)CCC)=O)C=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930291 |
