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4-[4-[2-(4-hexylphenyl)ethynyl]phenyl]-1-cyclohexanone
SpectraBase Compound ID BjoLgov7mUl
InChI InChI=1S/C26H30O/c1-2-3-4-5-6-21-7-9-22(10-8-21)11-12-23-13-15-24(16-14-23)25-17-19-26(27)20-18-25/h7-10,13-16,25H,2-6,17-20H2,1H3
InChIKey JQLSSYCVYWAPTC-UHFFFAOYSA-N
Mol Weight 358.53 g/mol
Molecular Formula C26H30O
Exact Mass 358.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NiZgSkN7Y
Name 4-[4-[2-(4-hexylphenyl)ethynyl]phenyl]-1-cyclohexanone
Alternate Name(s) 4-[4-[2-(4-hexylphenyl)ethynyl]phenyl]cyclohexan-1-one 4-[4-[2-(4-Hexylphenyl)ethynyl]phenyl]cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O
InChI InChI=1S/C26H30O/c1-2-3-4-5-6-21-7-9-22(10-8-21)11-12-23-13-15-24(16-14-23)25-17-19-26(27)20-18-25/h7-10,13-16,25H,2-6,17-20H2,1H3
InChIKey JQLSSYCVYWAPTC-UHFFFAOYSA-N
Molecular Weight 358.525 g/mol
SMILES C(#Cc1ccc(cc1)CCCCCC)c1ccc(cc1)C1CCC(CC1)=O
SPLASH splash10-0a4r-2098000000-f8c45ed81f4332078818
Source of Spectrum J-59-1860-7
Wiley ID 1347506