| SpectraBase Spectrum ID |
8HQ3qktW8cz |
| Name |
Phthalic acid, butyl 3-(2-methoxyethyl)octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.256274254 u |
| Formula |
C23H36O5 |
| InChI |
InChI=1S/C23H36O5/c1-4-6-8-11-19(14-17-26-3)15-18-28-23(25)21-13-10-9-12-20(21)22(24)27-16-7-5-2/h9-10,12-13,19H,4-8,11,14-18H2,1-3H3 |
| InChIKey |
UAHNBXMDUHVLCE-UHFFFAOYSA-N |
| Molecular Weight |
392.536 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OCCC(CCCCC)CCOC)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826226 |
