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3,3,5-trimethyl-5-propylcyclohexan-1-one
SpectraBase Compound ID ghtRaHNYdN
InChI InChI=1S/C12H22O/c1-5-6-12(4)8-10(13)7-11(2,3)9-12/h5-9H2,1-4H3
InChIKey YJYAWHZIAIPEFU-UHFFFAOYSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHL6SVcWUha
Name 3,3,5-trimethyl-5-propyl-1-cyclohexanone
Alternate Name(s) 3,3,5-trimethyl-5-propyl-cyclohexan-1-one 3,3,5-trimethyl-5-propyl-cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-5-6-12(4)8-10(13)7-11(2,3)9-12/h5-9H2,1-4H3
InChIKey YJYAWHZIAIPEFU-UHFFFAOYSA-N
Molecular Weight 182.307 g/mol
SMILES C1(CC(CC(C1)(C)C)(C)CCC)=O
SPLASH splash10-001r-9500000000-4f0889f443229cdf9462
Source of Spectrum F-51-749-4
Wiley ID 790572