| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DWvNIgeGxsD |
|---|---|
| Name | 6-Methyloctyl acetate |
| Comments | Computed using HOSE algorithm |
| 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 |