| SpectraBase Spectrum ID |
FbW728l88lO |
| Name |
Phthalic acid, 2-ethylhexyl hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-4-7-9-12-16-25-21(23)19-14-10-11-15-20(19)22(24)26-17-18(6-3)13-8-5-2/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3 |
| InChIKey |
BZGXQJVPKYXMDX-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C1=C(C(=CC=C1)C(=O)OCC(CC)CCCC)C(=O)OCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956966 |
