| SpectraBase Spectrum ID |
C6YFI1YaZLg |
| Name |
Phthalic acid, di(4,4-dimethylpent-2-yl) 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/c1-15(13-21(3,4)5)25-19(23)17-11-9-10-12-18(17)20(24)26-16(2)14-22(6,7)8/h9-12,15-16H,13-14H2,1-8H3 |
| InChIKey |
KHSNTYMCKXVQEW-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C1=CC=CC(=C1C(OC(C)CC(C)(C)C)=O)C(OC(C)CC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974027 |
