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3-(Cyclohexylmethyl)cyclohexanone
SpectraBase Compound ID IpxfZCtb5J6
InChI InChI=1S/C13H22O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h11-12H,1-10H2
InChIKey KRLCWBWDWZZTAK-UHFFFAOYSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AagIJHlpPhk
Name 3-(Cyclohexylmethyl)cyclohexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.167065327 u
Formula C13H22O
InChI InChI=1S/C13H22O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h11-12H,1-10H2
InChIKey KRLCWBWDWZZTAK-UHFFFAOYSA-N
Molecular Weight 194.318 g/mol
SMILES C1(=O)CC(CC2CCCCC2)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983342