SpectraBase Compound ID | G5EZXbqEwQc |
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InChI | InChI=1S/C10H22O/c1-4-7-8-10(11)9(5-2)6-3/h9-11H,4-8H2,1-3H3/t10-/m0/s1 |
InChIKey | WXJDPIWUPZLVSF-JTQLQIEISA-N |
Mol Weight | 158.28 g/mol |
Molecular Formula | C10H22O |
Exact Mass | 158.167065 g/mol |
SpectraBase Spectrum ID | 2ebuLvtMWfR |
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Name | (-)-3-ethyloctan-4-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 158.167065327 u |
Formula | C10H22O |
InChI | InChI=1S/C10H22O/c1-4-7-8-10(11)9(5-2)6-3/h9-11H,4-8H2,1-3H3/t10-/m0/s1 |
InChIKey | WXJDPIWUPZLVSF-JTQLQIEISA-N |
Molecular Weight | 158.285 g/mol |
SMILES | CCC([C@@](O)(CCCC)[H])CC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956575 |