| SpectraBase Compound ID | 3PAt43nU71a |
|---|---|
| InChI | InChI=1S/C7H16O3/c1-5(8)7(2,3)6(9)10-4/h5-6,8-9H,1-4H3 |
| InChIKey | SONWAYIPKUZPBR-UHFFFAOYSA-N |
| Mol Weight | 148.2 g/mol |
| Molecular Formula | C7H16O3 |
| Exact Mass | 148.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1SZwFTagk2P |
|---|---|
| Name | 2,2-Dimethyl-3-oxobutyric acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.109944372 u |
| Formula | C7H16O3 |
| InChI | InChI=1S/C7H16O3/c1-5(8)7(2,3)6(9)10-4/h5-6,8-9H,1-4H3 |
| InChIKey | SONWAYIPKUZPBR-UHFFFAOYSA-N |
| Molecular Weight | 148.202 g/mol |
| Nominal Mass | 148 u |
| SMILES | OC(C(C(O)OC)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954641 |