| SpectraBase Compound ID | CAnn6vh4sSe |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-5-11(6-2)8-7-9(3)13-10(4)12/h9,11H,5-8H2,1-4H3 |
| InChIKey | HKTRMJKZVHEDFC-UHFFFAOYSA-N |
| Mol Weight | 186.29 g/mol |
| Molecular Formula | C11H22O2 |
| Exact Mass | 186.16198 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IkrqDBek0PP |
|---|---|
| Name | 5-Ethyl-2-heptanol, 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/c1-5-11(6-2)8-7-9(3)13-10(4)12/h9,11H,5-8H2,1-4H3 |
| InChIKey | HKTRMJKZVHEDFC-UHFFFAOYSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | C(=O)(C)OC(CCC(CC)CC)C |
| Spectrum/Structure Validation Score (Raman) | 0.965049 |