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Cycloheptanone, 3-(3,3-dimethylbutyl)-5-methyl-
SpectraBase Compound ID kb5ipppUzg
InChI InChI=1S/C14H26O/c1-11-5-6-13(15)10-12(9-11)7-8-14(2,3)4/h11-12H,5-10H2,1-4H3
InChIKey ZIRYIDSEKRVWEF-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 4BY1sJo7No
Name Cycloheptanone, 3-(3,3-dimethylbutyl)-5-methyl-
Alternate Name(s) 3-(3,3-Dimethylbutyl)-5-methylcycloheptanone 3-(3,3-dimethylbutyl)-5-methyl-1-cycloheptanone 3-(3,3-dimethylbutyl)-5-methyl-cycloheptan-1-one 3-(3,3-dimethylbutyl)-5-methylcycloheptan-1-one
CAS Registry Number 56248-40-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O
InChI InChI=1S/C14H26O/c1-11-5-6-13(15)10-12(9-11)7-8-14(2,3)4/h11-12H,5-10H2,1-4H3
InChIKey ZIRYIDSEKRVWEF-UHFFFAOYSA-N
Molecular Weight 210.361 g/mol
SMILES C(CC(C)(C)C)C1CC(C)CCC(C1)=O
SPLASH splash10-0a6r-9200000000-1f341f5deb450a937d28
Source of Spectrum AC-73-348-4
Wiley ID 1209837