| SpectraBase Compound ID | E9BKHpjFaNS |
|---|---|
| InChI | InChI=1S/C6H10O3/c1-4(7)6(9-3)5(2)8/h6H,1-3H3 |
| InChIKey | YMQOSAYPQWXJSS-UHFFFAOYSA-N |
| Mol Weight | 130.14 g/mol |
| Molecular Formula | C6H10O3 |
| Exact Mass | 130.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HC5qmyOgWIQ |
|---|---|
| Name | 2,4-Pentanedione, 3-methoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.062994179 u |
| Formula | C6H10O3 |
| InChI | InChI=1S/C6H10O3/c1-4(7)6(9-3)5(2)8/h6H,1-3H3 |
| InChIKey | YMQOSAYPQWXJSS-UHFFFAOYSA-N |
| SMILES | C(C(=O)C)(C(=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861224 |