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Cyclohexanone, 2-(1-methylheptyl)-
SpectraBase Compound ID IbpRBcxAs7z
InChI InChI=1S/C14H26O/c1-3-4-5-6-9-12(2)13-10-7-8-11-14(13)15/h12-13H,3-11H2,1-2H3
InChIKey BQMQNEXTTHKHPQ-UHFFFAOYSA-N
Mol Weight 210.36 g/mol
Molecular Formula C14H26O
Exact Mass 210.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 389lFyQiPS1
Name Cyclohexanone, 2-(1-methylheptyl)-
Alternate Name(s) 2-(1-Methylheptyl)cyclohexanone 2-Octan-2-yl-1-cyclohexanone 2-Octan-2-ylcyclohexan-1-one
CAS Registry Number 54549-90-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O
InChI InChI=1S/C14H26O/c1-3-4-5-6-9-12(2)13-10-7-8-11-14(13)15/h12-13H,3-11H2,1-2H3
InChIKey BQMQNEXTTHKHPQ-UHFFFAOYSA-N
Molecular Weight 210.361 g/mol
SMILES C(C(C)C1C(=O)CCCC1)CCCCC
SPLASH splash10-0002-9000000000-0fa7850fd6264d609d02
Source of Spectrum SD-1981-0-0
Wiley ID 1209826