| SpectraBase Compound ID | JTHS8WOQPfK |
|---|---|
| InChI | InChI=1S/C8H16O3/c1-5-6(2)7(9)8(10-3)11-4/h6,8H,5H2,1-4H3 |
| InChIKey | SLJQWQAYIRMBLJ-UHFFFAOYSA-N |
| Mol Weight | 160.21 g/mol |
| Molecular Formula | C8H16O3 |
| Exact Mass | 160.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IJe0CUdurzr |
|---|---|
| Name | 2-Pentanone, 1,1-dimethoxy-3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.109944372 u |
| Formula | C8H16O3 |
| InChI | InChI=1S/C8H16O3/c1-5-6(2)7(9)8(10-3)11-4/h6,8H,5H2,1-4H3 |
| InChIKey | SLJQWQAYIRMBLJ-UHFFFAOYSA-N |
| Molecular Weight | 160.213 g/mol |
| SMILES | COC(OC)C(=O)C(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857934 |