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1-[5-(Benzylsulfanyl)-3-(diethoxymethyl)biphenyl-2-y]-2,2,2-trifluoroethanone
SpectraBase Compound ID CGImNTKWAdM
InChI InChI=1S/C26H25F3O3S/c1-2-31-13-14-32-17-21-15-22(33-18-19-9-5-3-6-10-19)16-23(25(30)26(27,28)29)24(21)20-11-7-4-8-12-20/h3-12,15-16H,2,13-14,17-18H2,1H3
InChIKey DQBANGYALPGMON-UHFFFAOYSA-N
Mol Weight 474.54 g/mol
Molecular Formula C26H25F3O3S
Exact Mass 474.14765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nnjYpZjRSz
Name 1-[5-(Benzylsulfanyl)-3-(diethoxymethyl)biphenyl-2-y]-2,2,2-trifluoroethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25F3O3S
InChI InChI=1S/C26H25F3O3S/c1-2-31-13-14-32-17-21-15-22(33-18-19-9-5-3-6-10-19)16-23(25(30)26(27,28)29)24(21)20-11-7-4-8-12-20/h3-12,15-16H,2,13-14,17-18H2,1H3
InChIKey DQBANGYALPGMON-UHFFFAOYSA-N
Molecular Weight 474.538 g/mol
SMILES c1(C(C(F)(F)F)=O)c(c(COCCOCC)cc(c1)SCc1ccccc1)-c1ccccc1
SPLASH splash10-0006-9001400000-2932cfdf95815a2b2f5c
Source of Spectrum J-64-6186-13
Wiley ID 1530783