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2-Cyclohexen-1-one, 3-(3,3-dimethyl-1-butenyl)-, (E)-
SpectraBase Compound ID 3liIn7yNTYc
InChI InChI=1S/C12H18O/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h7-9H,4-6H2,1-3H3/b8-7+
InChIKey ZCOYMBRWIONSSE-BQYQJAHWSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tNyF2uNbjW
Name 2-Cyclohexen-1-one, 3-(3,3-dimethyl-1-butenyl)-, (E)-
Alternate Name(s) 2-Cyclohexen-1-one, 3-(3,3-dimethyl-1-butenyl)-, (Z)- 3-(3,3-Dimethylbutenyl)-2-cyclohexenone (E)-7e 3-(3,3-Dimethylbutenyl)-2-cyclohexenone (Z)-7e 3-[(1E)-3,3-dimethyl-1-butenyl]-2-cyclohexen-1-one
CAS Registry Number 124267-31-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h7-9H,4-6H2,1-3H3/b8-7+
InChIKey ZCOYMBRWIONSSE-BQYQJAHWSA-N
Molecular Weight 178.275 g/mol
SMILES C1=C(\C=C\C(C)(C)C)CCCC1=O
SPLASH splash10-0a4i-3900000000-7fe037aa8b8244bcc40a
Source of Spectrum J-55-972-0
Wiley ID 1174739