| SpectraBase Compound ID | Fjbcj9TW2zo |
|---|---|
| InChI | InChI=1S/C7H14O3/c1-5(9-3)7(8)6(2)10-4/h5-6H,1-4H3 |
| InChIKey | ZPCRVKPBMSTJNS-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 | H3C0F5a0Cmo |
|---|---|
| Name | 2,4-Dimethoxypentan-3-one |
| 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(9-3)7(8)6(2)10-4/h5-6H,1-4H3 |
| InChIKey | ZPCRVKPBMSTJNS-UHFFFAOYSA-N |
| Molecular Weight | 146.186 g/mol |
| SMILES | CC(C(C(C)OC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983824 |