| SpectraBase Compound ID | Kl6OLSIRk6f |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-12(2,11(14)15-3)10(13)9-7-5-4-6-8-9/h4-8,10,13H,1-3H3 |
| InChIKey | FEXPAJSNUASWDX-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | fPzWFZhPWk |
|---|---|
| Name | 2,2-Dimethyl-3-phenylhydracrylic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-12(2,11(14)15-3)10(13)9-7-5-4-6-8-9/h4-8,10,13H,1-3H3 |
| InChIKey | FEXPAJSNUASWDX-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | OC(C1=CC=CC=C1)C(C(OC)=O)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.987384 |