| SpectraBase Compound ID | FpjLCl674mq |
|---|---|
| InChI | InChI=1S/C12H24O4/c1-5-7-8-16-11(14-4)9-10(3)12(13)15-6-2/h10-11H,5-9H2,1-4H3 |
| InChIKey | QQBRTSABYAFKOH-UHFFFAOYSA-N |
| Mol Weight | 232.32 g/mol |
| Molecular Formula | C12H24O4 |
| Exact Mass | 232.167459 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CE5WNvvIOfH |
|---|---|
| Name | Ethyl 4-butoxy-4-methoxy-2-methylbutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.167459249 u |
| Formula | C12H24O4 |
| InChI | InChI=1S/C12H24O4/c1-5-7-8-16-11(14-4)9-10(3)12(13)15-6-2/h10-11H,5-9H2,1-4H3 |
| InChIKey | QQBRTSABYAFKOH-UHFFFAOYSA-N |
| Molecular Weight | 232.320 g/mol |
| SMILES | C(C(CC(OC)OCCCC)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958842 |