| SpectraBase Compound ID | HWQ65zXM1wS |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-11(2,8-12)10(13)14-9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | FDGZHVJLAFDNTR-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6tPZO5dUdW8 |
|---|---|
| Name | Phenyl-2,2-dimethyl-3-oxopropanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-11(2,8-12)10(13)14-9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | FDGZHVJLAFDNTR-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | C(OC1=CC=CC=C1)(C(C=O)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97224 |