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2-(1-(4-methoxyphenyl)-2-methylpropyl)-5-(4-(trifluoromethyl)phenyl)thiophene
SpectraBase Compound ID KQCEDG3NNOS
InChI InChI=1S/C22H21F3OS/c1-14(2)21(16-6-10-18(26-3)11-7-16)20-13-12-19(27-20)15-4-8-17(9-5-15)22(23,24)25/h4-14,21H,1-3H3
InChIKey KJEKADAFRKDHCX-UHFFFAOYSA-N
Mol Weight 390.46 g/mol
Molecular Formula C22H21F3OS
Exact Mass 390.126521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQwIC9gk14P
Name 2-(1-(4-methoxyphenyl)-2-methylpropyl)-5-(4-(trifluoromethyl)phenyl)thiophene
Appearance Yellow oil
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Formula C22H21F3OS
InChI InChI=1S/C22H21F3OS/c1-14(2)21(16-6-10-18(26-3)11-7-16)20-13-12-19(27-20)15-4-8-17(9-5-15)22(23,24)25/h4-14,21H,1-3H3
InChIKey KJEKADAFRKDHCX-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C VL MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.202016268
Molecular Weight 390.464 g/mol
SMILES c1cc(ccc1OC)C(c1sc(cc1)-c1ccc(cc1)C(F)(F)F)C(C)C
SPLASH splash10-0002-0009000000-77176dc8a0cf0c81f442
Source of Spectrum ACI-60-SM46-5i
Wiley ID 1880303