| SpectraBase Compound ID | 4pdaIc5aqGu |
|---|---|
| InChI | InChI=1S/C8H18O/c1-5-7(6-2)8(3,4)9/h7,9H,5-6H2,1-4H3 |
| InChIKey | FRUMTAZIGSJVOJ-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 | F5yW1R1YmeB |
|---|---|
| Name | 2-Pentanol, 3-ethyl-2-methyl- |
| 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(6-2)8(3,4)9/h7,9H,5-6H2,1-4H3 |
| InChIKey | FRUMTAZIGSJVOJ-UHFFFAOYSA-N |
| Molecular Weight | 130.231 g/mol |
| SMILES | CCC(C(C)(O)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93451 |