| SpectraBase Compound ID | A5na58C1xyl |
|---|---|
| InChI | InChI=1S/C7H14O3/c1-5(6(2)8)7(9-3)10-4/h5,7H,1-4H3 |
| InChIKey | PPYDDVVHUXDXNZ-UHFFFAOYSA-N |
| Mol Weight | 146.19 g/mol |
| Molecular Formula | C7H14O3 |
| Exact Mass | 146.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L8KzFtp1NyD |
|---|---|
| Name | 2-Butanone, 4,4-dimethoxy-3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.094294308 u |
| Formula | C7H14O3 |
| InChI | InChI=1S/C7H14O3/c1-5(6(2)8)7(9-3)10-4/h5,7H,1-4H3 |
| InChIKey | PPYDDVVHUXDXNZ-UHFFFAOYSA-N |
| Molecular Weight | 146.186 g/mol |
| SMILES | C(C)(C(C)=O)C(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966701 |