| SpectraBase Compound ID | 2cq4kSGWV0G |
|---|---|
| InChI | InChI=1S/C8H18O/c1-6-8(5,9)7(2,3)4/h9H,6H2,1-5H3 |
| InChIKey | KLIHWYNSISMOMR-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 | 1U8dFzUIre4 |
|---|---|
| Name | 3,4,4-Trimethyl-3-pentanol |
| 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/c1-6-8(5,9)7(2,3)4/h9H,6H2,1-5H3 |
| InChIKey | KLIHWYNSISMOMR-UHFFFAOYSA-N |
| Molecular Weight | 130.231 g/mol |
| SMILES | CCC(O)(C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972023 |