SpectraBase Compound ID | Dixzl4GgbGh |
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InChI | InChI=1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3 |
InChIKey | ZVHAANQOQZVVFD-UHFFFAOYSA-N |
Mol Weight | 116.2 g/mol |
Molecular Formula | C7H16O |
Exact Mass | 116.120115 g/mol |
SpectraBase Spectrum ID | B39lR6uFRBZ |
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Name | 5-Methyl-1-hexanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 116.120115134 u |
Formula | C7H16O |
InChI | InChI=1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3 |
InChIKey | ZVHAANQOQZVVFD-UHFFFAOYSA-N |
Molecular Weight | 116.204 g/mol |
SMILES | OCCCCC(C)C |
Spectrum/Structure Validation Score (Raman) | 0.982734 |