| SpectraBase Compound ID | 7fQsjVr1KPM |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-4-10(2)8-6-5-7-9-13-11(3)12/h10H,4-9H2,1-3H3 |
| InChIKey | VGPKXXPPKGLAHM-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 | G1IuCq9AozK |
|---|---|
| Name | 6-Methyloctyl 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/c1-4-10(2)8-6-5-7-9-13-11(3)12/h10H,4-9H2,1-3H3 |
| InChIKey | VGPKXXPPKGLAHM-UHFFFAOYSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | C(C)(=O)OCCCCCC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864385 |