| SpectraBase Spectrum ID |
CYylOLS3Szm |
| Name |
Phthalic acid, hexyl 2-(2-methoxyethyl)hexyl 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/c1-4-6-8-11-16-27-22(24)20-13-9-10-14-21(20)23(25)28-18-19(12-7-5-2)15-17-26-3/h9-10,13-14,19H,4-8,11-12,15-18H2,1-3H3 |
| InChIKey |
UBGVQZBEVFMWFH-UHFFFAOYSA-N |
| Molecular Weight |
392.536 g/mol |
| SMILES |
C(COC(C1=C(C=CC=C1)C(=O)OCCCCCC)=O)(CCCC)CCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945581 |
