| SpectraBase Compound ID | 664ObKkpRmp |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-7-10(6)12(13)14-11(8(2)3)9(4)5/h8-11H,7H2,1-6H3 |
| InChIKey | SDJJBMKBUIRJTM-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 | 5Bs8sXiL0uu |
|---|---|
| Name | 2,4-Dimethylpentan-3-yl 2-methylbutanoate |
| 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/c1-7-10(6)12(13)14-11(8(2)3)9(4)5/h8-11H,7H2,1-6H3 |
| InChIKey | SDJJBMKBUIRJTM-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | C(OC(C(C)C)C(C)C)(C(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974947 |