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3,3'-(Ethynediyl)-bis(5",5"-dimethylcyclohex-2"-en-1"-one)
SpectraBase Compound ID KOKQQ0vfLUX
InChI InChI=1S/C18H22O2/c1-17(2)9-13(7-15(19)11-17)5-6-14-8-16(20)12-18(3,4)10-14/h7-8H,9-12H2,1-4H3
InChIKey LGDOILBKCIMCPB-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MFqTg5XCy
Name 3,3'-(Ethynediyl)-bis(5",5"-dimethylcyclohex-2"-en-1"-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-17(2)9-13(7-15(19)11-17)5-6-14-8-16(20)12-18(3,4)10-14/h7-8H,9-12H2,1-4H3
InChIKey LGDOILBKCIMCPB-UHFFFAOYSA-N
Molecular Weight 270.372 g/mol
SMILES C(#CC1=CC(=O)CC(C1)(C)C)C1=CC(=O)CC(C1)(C)C
SPLASH splash10-0c00-0490000000-8fdf1fa4c9abace712a7
Source of Spectrum B-51-520-16
Synonyms 3,3'-(Ethynediyl)-bis(5'',5''-dimethylcyclohex-2''-en-1''-one) 3-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)ethynyl]-5,5-dimethyl-2-cyclohexen-1-one
Wiley ID 746073