| SpectraBase Compound ID | GCFRPr39rO2 |
|---|---|
| InChI | InChI=1S/C17H16O4/c1-17(2,15(18)20-13-9-5-3-6-10-13)16(19)21-14-11-7-4-8-12-14/h3-12H,1-2H3 |
| InChIKey | HWZVGGMEXHEECA-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C17H16O4 |
| Exact Mass | 284.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5xkrXitKos1 |
|---|---|
| Name | Dimethylmalonic acid, diphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.104858991 u |
| Formula | C17H16O4 |
| InChI | InChI=1S/C17H16O4/c1-17(2,15(18)20-13-9-5-3-6-10-13)16(19)21-14-11-7-4-8-12-14/h3-12H,1-2H3 |
| InChIKey | HWZVGGMEXHEECA-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1)OC(=O)C(C)(C)C(OC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861928 |