| SpectraBase Compound ID | 7vsHp7wz6Ns |
|---|---|
| InChI | InChI=1S/C8H16O4/c1-6(8(9)12-4)5-7(10-2)11-3/h6-7H,5H2,1-4H3 |
| InChIKey | KMMQAUHTIMPGJB-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C8H16O4 |
| Exact Mass | 176.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FrsOUMV2Nyk |
|---|---|
| Name | Methyl 4,4-dimethoxy-2-methylbutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.104858991 u |
| Formula | C8H16O4 |
| InChI | InChI=1S/C8H16O4/c1-6(8(9)12-4)5-7(10-2)11-3/h6-7H,5H2,1-4H3 |
| InChIKey | KMMQAUHTIMPGJB-UHFFFAOYSA-N |
| Molecular Weight | 176.212 g/mol |
| SMILES | C(C(CC(OC)OC)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960843 |