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4-[4-[2-(4-Amylphenyl)ethynyl]phenyl]cyclohexanone
SpectraBase Compound ID LTGquQkFSzh
InChI InChI=1S/C25H28O/c1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)24-16-18-25(26)19-17-24/h6-9,12-15,24H,2-5,16-19H2,1H3
InChIKey JMTXSUXWBCHTAI-UHFFFAOYSA-N
Mol Weight 344.5 g/mol
Molecular Formula C25H28O
Exact Mass 344.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xSLN68pXIX
Name 4-[4-[2-(4-Amylphenyl)ethynyl]phenyl]cyclohexanone
Alternate Name(s) 4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]-1-cyclohexanone 4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]cyclohexan-1-one 4-[4-[2-(4-Pentylphenyl)ethynyl]phenyl]cyclohexanone
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Formula C25H28O
InChI InChI=1S/C25H28O/c1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)24-16-18-25(26)19-17-24/h6-9,12-15,24H,2-5,16-19H2,1H3
InChIKey JMTXSUXWBCHTAI-UHFFFAOYSA-N
Molecular Weight 344.498 g/mol
SMILES C(#Cc1ccc(cc1)CCCCC)c1ccc(cc1)C1CCC(CC1)=O
SPLASH splash10-0006-0029000000-de45717f9c32cea08b87
Source of Spectrum J-59-1860-6
Wiley ID 1338419