SpectraBase Compound ID | DnZ1f4H2oAe |
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InChI | InChI=1S/C11H22O2/c1-4-12-10-7-6-8-11(9(10)3)13-5-2/h9-11H,4-8H2,1-3H3 |
InChIKey | KZVBOBAOWYIZAW-UHFFFAOYSA-N |
Mol Weight | 186.29 g/mol |
Molecular Formula | C11H22O2 |
Exact Mass | 186.16198 g/mol |
SpectraBase Spectrum ID | FtnzTHV17Ms |
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Name | 1R,3-cis-Diethoxy-2-cis-methylcyclohexane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 186.161979946 u |
Formula | C11H22O2 |
InChI | InChI=1S/C11H22O2/c1-4-12-10-7-6-8-11(9(10)3)13-5-2/h9-11H,4-8H2,1-3H3 |
InChIKey | KZVBOBAOWYIZAW-UHFFFAOYSA-N |
Molecular Weight | 186.295 g/mol |
SMILES | C1CC(C(C(C1)OCC)C)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94674 |