| SpectraBase Compound ID | 4yVo8kVHL1B |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-13(2,3)12(14)10-7-6-9(15-4)8-11(10)16-5/h6-8H,1-5H3 |
| InChIKey | OGXRBPJCWQCNQX-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2bIVhUc7yxs |
|---|---|
| Name | 2',4'-Dimethoxypivalophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-13(2,3)12(14)10-7-6-9(15-4)8-11(10)16-5/h6-8H,1-5H3 |
| InChIKey | OGXRBPJCWQCNQX-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C=1C(=C(C=C(C1)OC)OC)C(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.984311 |