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3-sect-Butyl-5,5-dimethylcyclohex-2-enone
SpectraBase Compound ID LRqACITxrUG
InChI InChI=1S/C12H20O/c1-9(2)5-10-6-11(13)8-12(3,4)7-10/h6,9H,5,7-8H2,1-4H3
InChIKey ZKQSWOFEZKRSKB-UHFFFAOYSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUELdeXDKFb
Name 3-sect-Butyl-5,5-dimethylcyclohex-2-enone
Alternate Name(s) 5,5-Dimethyl-3-(2-methylpropyl)-1-cyclohex-2-enone 5,5-Dimethyl-3-(2-methylpropyl)cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-9(2)5-10-6-11(13)8-12(3,4)7-10/h6,9H,5,7-8H2,1-4H3
InChIKey ZKQSWOFEZKRSKB-UHFFFAOYSA-N
Molecular Weight 180.291 g/mol
SMILES C1(=CC(=O)CC(C1)(C)C)CC(C)C
SPLASH splash10-001i-9100000000-f9c1fef50e8efcd3355d
Source of Spectrum KC-61-2323-13
Wiley ID 1628036