| SpectraBase Compound ID | 96gjCIRlfgg |
|---|---|
| InChI | InChI=1S/C8H18O/c1-5-7(9)8(3,4)6-2/h7,9H,5-6H2,1-4H3 |
| InChIKey | BARKHVPKOOSMNW-UHFFFAOYSA-N |
| Mol Weight | 130.23 g/mol |
| Molecular Formula | C8H18O |
| Exact Mass | 130.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8nNe3QijClA |
|---|---|
| Name | 3-Hexanol, 4,4-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.135765199 u |
| Formula | C8H18O |
| InChI | InChI=1S/C8H18O/c1-5-7(9)8(3,4)6-2/h7,9H,5-6H2,1-4H3 |
| InChIKey | BARKHVPKOOSMNW-UHFFFAOYSA-N |
| Molecular Weight | 130.231 g/mol |
| SMILES | CCC(C(CC)O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955828 |