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9-Hydroxy-2,2-dimethyl-dec-5-en-3-one

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

9-Hydroxy-2,2-dimethyl-dec-5-en-3-one
SpectraBase Compound ID I9ETMS0tFl
InChI InChI=1S/C12H22O2/c1-10(13)8-6-5-7-9-11(14)12(2,3)4/h5,7,10,13H,6,8-9H2,1-4H3/b7-5+
InChIKey HCVKZKHQIVPCJE-FNORWQNLSA-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 FyZgiz67JPb
Name 9-Hydroxy-2,2-dimethyl-dec-5-en-3-one
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/c1-10(13)8-6-5-7-9-11(14)12(2,3)4/h5,7,10,13H,6,8-9H2,1-4H3/b7-5+
InChIKey HCVKZKHQIVPCJE-FNORWQNLSA-N
Molecular Weight 198.306 g/mol
SMILES C(=O)(C(C)(C)C)C\C=C\CCC(O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918562