| SpectraBase Compound ID | Hl1OLHsTB2p |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3 |
| InChIKey | DGKXDLCVQSQVBC-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 | AslLSYh2jt8 |
|---|---|
| Name | 3,5,5-Trimethyl-1-hexanol, 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/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3 |
| InChIKey | DGKXDLCVQSQVBC-UHFFFAOYSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | CC(CC(CCOC(C)=O)C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.95725 |