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2,2,5-trimethyl-5-propyl-1-cyclohexanone
SpectraBase Compound ID ADWfbkCd3tY
InChI InChI=1S/C12H22O/c1-5-6-12(4)8-7-11(2,3)10(13)9-12/h5-9H2,1-4H3
InChIKey XNCKDXCYNRJMBV-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 BOc66ByhcVd
Name 2,2,5-trimethyl-5-propyl-1-cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-5-6-12(4)8-7-11(2,3)10(13)9-12/h5-9H2,1-4H3
InChIKey XNCKDXCYNRJMBV-UHFFFAOYSA-N
Molecular Weight 182.307 g/mol
SMILES C1(C(CCC(C1)(CCC)C)(C)C)=O
SPLASH splash10-01p9-3900000000-754df0c0fefb50d3c905
Source of Spectrum F-48-5576-11
Synonyms 2,2,5-trimethyl-5-propyl-cyclohexan-1-one 2,2,5-trimethyl-5-propylcyclohexan-1-one
Wiley ID 1179243