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Cyclohexanone, 2-butyl-6-methyl-, cis-

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Cyclohexanone, 2-butyl-6-methyl-, cis-
SpectraBase Compound ID HO8wpNCiqJB
InChI InChI=1S/C11H20O/c1-3-4-7-10-8-5-6-9(2)11(10)12/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKey BJQCZCARVYHHOV-VHSXEESVSA-N
Mol Weight 168.28 g/mol
Molecular Formula C11H20O
Exact Mass 168.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HjmzuotxY9R
Name Cyclohexanone, 2-butyl-6-methyl-, cis-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.151415263 u
Formula C11H20O
InChI InChI=1S/C11H20O/c1-3-4-7-10-8-5-6-9(2)11(10)12/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKey BJQCZCARVYHHOV-VHSXEESVSA-N
Molecular Weight 168.280 g/mol
SMILES C1(=O)[C@](CCC[C@]1(CCCC)[H])(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952472