| SpectraBase Compound ID | IX2F20XCM0Z |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-7-12(8-2,11(4,5)6)10(13)14-9-3/h7-9H2,1-6H3 |
| InChIKey | PDIVLKNUSLZXIC-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 | G1ulTXvxaqp |
|---|---|
| Name | Butanoic acid, 2,2-diethyl-3,3-dimethyl-, 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/c1-7-12(8-2,11(4,5)6)10(13)14-9-3/h7-9H2,1-6H3 |
| InChIKey | PDIVLKNUSLZXIC-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | C(C(=O)OCC)(C(C)(C)C)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897751 |