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2-methyl-4-(2-((4-(trifluoromethyl)phenyl)ethynyl)phenyl)but-3-yn-2-ol
SpectraBase Compound ID 6CHsw6OE7dI
InChI InChI=1S/C20H15F3O/c1-19(2,24)14-13-17-6-4-3-5-16(17)10-7-15-8-11-18(12-9-15)20(21,22)23/h3-6,8-9,11-12,24H,1-2H3
InChIKey BRNZXCROYFGLPZ-UHFFFAOYSA-N
Mol Weight 328.33 g/mol
Molecular Formula C20H15F3O
Exact Mass 328.1075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8if5X7l7Kin
Name 2-methyl-4-(2-((4-(trifluoromethyl)phenyl)ethynyl)phenyl)but-3-yn-2-ol
Appearance Light yellow solid
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Exact Mass 328.107499591 u
Formula C20H15F3O
InChI InChI=1S/C20H15F3O/c1-19(2,24)14-13-17-6-4-3-5-16(17)10-7-15-8-11-18(12-9-15)20(21,22)23/h3-6,8-9,11-12,24H,1-2H3
InChIKey BRNZXCROYFGLPZ-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 328.334 g/mol
Quality 128
Reported Formula C20H15OF3
SMILES OC(C#CC1=C(C#CC2=CC=C(C=C2)C(F)(F)F)C=CC=C1)(C)C
SPLASH splash10-03di-0049000000-23137d0937d1ef131813
Source of Spectrum QE-21-SM34-IVm (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.46 (PE/EA, 5:1)
Wiley ID 1907154