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2,6,6-trimethyl-2-(4-chlorobut-2(Z)-enyl)cyclohexanone
SpectraBase Compound ID JdBibxfkvBO
InChI InChI=1S/C13H21ClO/c1-12(2)7-6-9-13(3,11(12)15)8-4-5-10-14/h4-5H,6-10H2,1-3H3/b5-4-
InChIKey BMWFMOICCIHNIM-PLNGDYQASA-N
Mol Weight 228.76 g/mol
Molecular Formula C13H21ClO
Exact Mass 228.128093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJng6F5eH5E
Name 2,6,6-trimethyl-2-(4-chlorobut-2(Z)-enyl)cyclohexanone
Alternate Name(s) 2-[(2Z)-4-chloro-2-butenyl]-2,6,6-trimethylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21ClO
InChI InChI=1S/C13H21ClO/c1-12(2)7-6-9-13(3,11(12)15)8-4-5-10-14/h4-5H,6-10H2,1-3H3/b5-4-
InChIKey BMWFMOICCIHNIM-PLNGDYQASA-N
Molecular Weight 228.763 g/mol
SMILES C1(C(C\C=C/CCl)(CCCC1(C)C)C)=O
SPLASH splash10-052f-9600000000-44268f2e57caaef630d4
Source of Spectrum AH-123-590-11
Wiley ID 1229731