| SpectraBase Compound ID | Ato74DcIHNu |
|---|---|
| InChI | InChI=1S/C17H14O4/c1-11-3-5-12(6-4-11)15(18)16(19)13-7-9-14(10-8-13)17(20)21-2/h3-10H,1-2H3 |
| InChIKey | QFBHVTYWLHPSTK-UHFFFAOYSA-N |
| Mol Weight | 282.3 g/mol |
| Molecular Formula | C17H14O4 |
| Exact Mass | 282.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KaAM7vgyxDy |
|---|---|
| Name | 4-Carbomethoxy-4-methylbenzil |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.089208927 u |
| Formula | C17H14O4 |
| InChI | InChI=1S/C17H14O4/c1-11-3-5-12(6-4-11)15(18)16(19)13-7-9-14(10-8-13)17(20)21-2/h3-10H,1-2H3 |
| InChIKey | QFBHVTYWLHPSTK-UHFFFAOYSA-N |
| SMILES | C(C(C=1C=CC(=CC1)C)=O)(C1=CC=C(C(=O)OC)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949269 |