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5-tert-Butyl-4-methylcycloheptanone
SpectraBase Compound ID NQivV1156D
InChI InChI=1S/C12H22O/c1-9-5-6-10(12(2,3)4)7-8-11(9)13/h9-10H,5-8H2,1-4H3
InChIKey YGGAOZWJZBDQBP-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 2526Ru3GmGF
Name 5-tert-Butyl-4-methylcycloheptanone
Alternate Name(s) 2-Methyl-5-tert-butylcycloheptanone 4-tert-Butyl-5-methylcycloheptanone 5-tert-Butyl-2-methylcycloheptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-9-5-6-10(12(2,3)4)7-8-11(9)13/h9-10H,5-8H2,1-4H3
InChIKey YGGAOZWJZBDQBP-UHFFFAOYSA-N
Molecular Weight 182.307 g/mol
SMILES C1(CCC(C(C)(C)C)CCC1C)=O
SPLASH splash10-0a6r-9700000000-817424957b62d08537a4
Source of Spectrum F-50-11848-25
Wiley ID 789662