| SpectraBase Spectrum ID |
I1E4mMFDuU5 |
| Name |
Glutaric acid, di(4-acetylphenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.125988358 u |
| Formula |
C21H20O6 |
| InChI |
InChI=1S/C21H20O6/c1-14(22)16-6-10-18(11-7-16)26-20(24)4-3-5-21(25)27-19-12-8-17(9-13-19)15(2)23/h6-13H,3-5H2,1-2H3 |
| InChIKey |
ITYMCEKBTZGXGA-UHFFFAOYSA-N |
| Molecular Weight |
368.385 g/mol |
| SMILES |
CC(C1=CC=C(OC(CCCC(OC2=CC=C(C=C2)C(=O)C)=O)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877412 |
