| SpectraBase Compound ID | AOW7LoMLFbz |
|---|---|
| InChI | InChI=1S/C6H12O3/c1-5(9-3)6(7)4-8-2/h5H,4H2,1-3H3 |
| InChIKey | FOBZQKQDTJRGPE-UHFFFAOYSA-N |
| Mol Weight | 132.16 g/mol |
| Molecular Formula | C6H12O3 |
| Exact Mass | 132.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4KRODLUledz |
|---|---|
| Name | 1,3-Dimethoxy-2-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.078644243 u |
| Formula | C6H12O3 |
| InChI | InChI=1S/C6H12O3/c1-5(9-3)6(7)4-8-2/h5H,4H2,1-3H3 |
| InChIKey | FOBZQKQDTJRGPE-UHFFFAOYSA-N |
| SMILES | C(=O)(C(OC)C)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951976 |