| SpectraBase Spectrum ID |
2hCETVR8h8r |
| Name |
Diethyl 4-ethyl-5-phenylphthalate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.151809184 u |
| Formula |
C20H22O4 |
| InChI |
InChI=1S/C20H22O4/c1-4-14-12-17(19(21)23-5-2)18(20(22)24-6-3)13-16(14)15-10-8-7-9-11-15/h7-13H,4-6H2,1-3H3 |
| InChIKey |
PJJLHVSWTZREOT-UHFFFAOYSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
C(C=1C(C(=O)OCC)=CC(=C(C1)C=1C=CC=CC1)CC)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960968 |
