SpectraBase Compound ID | 5SbiJ14iV9D |
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InChI | InChI=1S/C11H20O2/c1-10(2,3)9(12)11(13)7-5-4-6-8-11/h13H,4-8H2,1-3H3 |
InChIKey | VRNHRIBENYNKRN-UHFFFAOYSA-N |
Mol Weight | 184.28 g/mol |
Molecular Formula | C11H20O2 |
Exact Mass | 184.14633 g/mol |
SpectraBase Spectrum ID | 9C5rZgLqdqe |
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Name | 1-(1-Hydroxycyclohexyl)-2,2-dimethyl-1-propanone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 184.146329882 u |
Formula | C11H20O2 |
InChI | InChI=1S/C11H20O2/c1-10(2,3)9(12)11(13)7-5-4-6-8-11/h13H,4-8H2,1-3H3 |
InChIKey | VRNHRIBENYNKRN-UHFFFAOYSA-N |
Molecular Weight | 184.279 g/mol |
SMILES | C(C(C)(C)C)(=O)C1(CCCCC1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859464 |