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1-(2-Hydroxy-2-methyl-6-propyl-cyclohexyl)-ethanone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-(2-Hydroxy-2-methyl-6-propyl-cyclohexyl)-ethanone
SpectraBase Compound ID EcHycru4Fz3
InChI InChI=1S/C12H22O2/c1-4-6-10-7-5-8-12(3,14)11(10)9(2)13/h10-11,14H,4-8H2,1-3H3/t10-,11+,12-/m1/s1
InChIKey IOVICMFJKDMJOM-GRYCIOLGSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JYilYIRO0lq
Name 1-(2-Hydroxy-2-methyl-6-propyl-cyclohexyl)-ethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.161979946 u
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-4-6-10-7-5-8-12(3,14)11(10)9(2)13/h10-11,14H,4-8H2,1-3H3/t10-,11+,12-/m1/s1
InChIKey IOVICMFJKDMJOM-GRYCIOLGSA-N
Molecular Weight 198.306 g/mol
SMILES [C@]1(CCC[C@@](CCC)([C@@]1(C(=O)C)[H])[H])(C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.83843