SpectraBase Compound ID | HunDkbHRKwa |
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InChI | InChI=1S/C11H22O/c1-5-8-11(4,12)9-6-7-10(2)3/h5,10,12H,1,6-9H2,2-4H3 |
InChIKey | LGYLSRRKPXWRAT-UHFFFAOYSA-N |
Mol Weight | 170.3 g/mol |
Molecular Formula | C11H22O |
Exact Mass | 170.167065 g/mol |
SpectraBase Spectrum ID | BuakFkX36Jc |
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Name | 4,8-Dimethyl-4-hydroxy-1-nonene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 170.167065327 u |
Formula | C11H22O |
InChI | InChI=1S/C11H22O/c1-5-8-11(4,12)9-6-7-10(2)3/h5,10,12H,1,6-9H2,2-4H3 |
InChIKey | LGYLSRRKPXWRAT-UHFFFAOYSA-N |
Molecular Weight | 170.296 g/mol |
SMILES | C=CCC(CCCC(C)C)(O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937764 |