| SpectraBase Compound ID | BW5suGpPKLo |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-8-14-10(13)9(11(2,3)4)12(5,6)7/h9H,8H2,1-7H3 |
| InChIKey | VNYNVYALAACENJ-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EjU6jBWOFF2 |
|---|---|
| Name | 2-Tert-butyl-3,3-dimethyl-butyric acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C12H24O2/c1-8-14-10(13)9(11(2,3)4)12(5,6)7/h9H,8H2,1-7H3 |
| InChIKey | VNYNVYALAACENJ-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | C(C(C(C)(C)C)C(C)(C)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880555 |