| SpectraBase Compound ID | 3HtddTtkpOr |
|---|---|
| InChI | InChI=1S/C12H26O/c1-5-7-8-12(6-2)10-13-9-11(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | HUYVQJLNHNGBMB-UHFFFAOYSA-N |
| Mol Weight | 186.34 g/mol |
| Molecular Formula | C12H26O |
| Exact Mass | 186.198365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9yyfhVUcDi8 |
|---|---|
| Name | 1-Isobutoxy-2-ethylhexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.198365456 u |
| Formula | C12H26O |
| InChI | InChI=1S/C12H26O/c1-5-7-8-12(6-2)10-13-9-11(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | HUYVQJLNHNGBMB-UHFFFAOYSA-N |
| Molecular Weight | 186.339 g/mol |
| SMILES | CC(COCC(CCCC)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915677 |