| SpectraBase Spectrum ID |
1LUz1Wk2zt |
| Name |
Diethylmalonic 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 |
396.157288487 u |
| Formula |
C23H24O6 |
| InChI |
InChI=1S/C23H24O6/c1-5-23(6-2,21(26)28-19-11-7-17(8-12-19)15(3)24)22(27)29-20-13-9-18(10-14-20)16(4)25/h7-14H,5-6H2,1-4H3 |
| InChIKey |
OARCOSNOWYQPBF-UHFFFAOYSA-N |
| Molecular Weight |
396.439 g/mol |
| SMILES |
CCC(C(OC1=CC=C(C(C)=O)C=C1)=O)(C(OC1=CC=C(C=C1)C(C)=O)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980494 |
