| SpectraBase Compound ID | Bqbe3zKTojp |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-5-6-11(13-10(4)12)8-7-9(2)3/h9,11H,5-8H2,1-4H3 |
| InChIKey | RCGDVGLQQHGPAU-UHFFFAOYSA-N |
| Mol Weight | 186.29 g/mol |
| Molecular Formula | C11H22O2 |
| Exact Mass | 186.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7blWJaX1A8L |
|---|---|
| Name | 4-Octanol, 7-methyl-, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.161979946 u |
| Formula | C11H22O2 |
| InChI | InChI=1S/C11H22O2/c1-5-6-11(13-10(4)12)8-7-9(2)3/h9,11H,5-8H2,1-4H3 |
| InChIKey | RCGDVGLQQHGPAU-UHFFFAOYSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | C(C(OC(C)=O)CCC)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971818 |