| SpectraBase Spectrum ID |
2rSDIOq5cWE |
| Name |
Phthalic acid, 2-(2-methoxyethyl)hexyl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.287574383 u |
| Formula |
C25H40O5 |
| InChI |
InChI=1S/C25H40O5/c1-4-6-8-9-10-13-18-29-24(26)22-15-11-12-16-23(22)25(27)30-20-21(14-7-5-2)17-19-28-3/h11-12,15-16,21H,4-10,13-14,17-20H2,1-3H3 |
| InChIKey |
VFEATIRHEKOIKI-UHFFFAOYSA-N |
| Molecular Weight |
420.590 g/mol |
| SMILES |
C(C(COC(C1=C(C=CC=C1)C(=O)OCCCCCCCC)=O)CCOC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875077 |
