| SpectraBase Compound ID | 5KFJVCyVlOr |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-12(2)7-10(13)9-5-4-8(14-3)6-11(9)15-12/h4-6H,7H2,1-3H3 |
| InChIKey | QXKXYXNEOUCMIY-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CvaR72tgcl3 |
|---|---|
| Name | 7-Methoxy-2,2-dimethyl-4-chromanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-12(2)7-10(13)9-5-4-8(14-3)6-11(9)15-12/h4-6H,7H2,1-3H3 |
| InChIKey | QXKXYXNEOUCMIY-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | COC1=CC=2OC(C)(C)CC(=O)C2C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982131 |