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2,4,6-tris(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]thiopyran
SpectraBase Compound ID KHGYGiaauW9
InChI InChI=1S/C33H27F3O3S/c1-37-27-14-4-22(5-15-27)30-20-32(25-12-18-29(39-3)19-13-25,24-8-10-26(11-9-24)33(34,35)36)21-31(40-30)23-6-16-28(38-2)17-7-23/h4-21H,1-3H3
InChIKey WHZKFLFGLCUQPA-UHFFFAOYSA-N
Mol Weight 560.6 g/mol
Molecular Formula C33H27F3O3S
Exact Mass 560.1633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tGtNrtreK1
Name 2,4,6-tris(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]thiopyran
CAS Registry Number 63072-28-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H27F3O3S
InChI InChI=1S/C33H27F3O3S/c1-37-27-14-4-22(5-15-27)30-20-32(25-12-18-29(39-3)19-13-25,24-8-10-26(11-9-24)33(34,35)36)21-31(40-30)23-6-16-28(38-2)17-7-23/h4-21H,1-3H3
InChIKey WHZKFLFGLCUQPA-UHFFFAOYSA-N
Molecular Weight 560.631 g/mol
SMILES C(F)(F)(F)c1ccc(C2(C=C(SC(=C2)c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
SPLASH splash10-03di-0110890000-59748b56ebb0c88288ec
Source of Spectrum Y-14-200-0
Wiley ID 1406773