| SpectraBase Spectrum ID |
4wH1hqyK01f |
| Name |
Adipic acid, di(3,4-dimethylphenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.183109313 u |
| Formula |
C22H26O4 |
| InChI |
InChI=1S/C22H26O4/c1-15-9-11-19(13-17(15)3)25-21(23)7-5-6-8-22(24)26-20-12-10-16(2)18(4)14-20/h9-14H,5-8H2,1-4H3 |
| InChIKey |
QFCZJXOGHJQBNC-UHFFFAOYSA-N |
| Molecular Weight |
354.446 g/mol |
| SMILES |
CC1=C(C)C=CC(=C1)OC(CCCCC(=O)OC1=CC(=C(C=C1)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868823 |
