| SpectraBase Spectrum ID |
6EPFiVDFzw5 |
| Name |
Dimethylmalonic acid, di(2-ethylphenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.167459249 u |
| Formula |
C21H24O4 |
| InChI |
InChI=1S/C21H24O4/c1-5-15-11-7-9-13-17(15)24-19(22)21(3,4)20(23)25-18-14-10-8-12-16(18)6-2/h7-14H,5-6H2,1-4H3 |
| InChIKey |
ZQNPYCFHSBNJAL-UHFFFAOYSA-N |
| Molecular Weight |
340.419 g/mol |
| SMILES |
C1=CC=C(C(=C1)OC(C(C(OC=1C(CC)=CC=CC1)=O)(C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924599 |
