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2-(3',4',5'-trimethoxyphenyl)-2-(4''-fluorophenyl)-1,3-dithiane
SpectraBase Compound ID DtZx8prCa4Z
InChI InChI=1S/C19H21FO3S2/c1-21-16-11-14(12-17(22-2)18(16)23-3)19(24-9-4-10-25-19)13-5-7-15(20)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3
InChIKey FNVIRLIJANKQSG-UHFFFAOYSA-N
Mol Weight 380.49 g/mol
Molecular Formula C19H21FO3S2
Exact Mass 380.091615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRbiZFIjGrr
Name 2-(3',4',5'-trimethoxyphenyl)-2-(4''-fluorophenyl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21FO3S2
InChI InChI=1S/C19H21FO3S2/c1-21-16-11-14(12-17(22-2)18(16)23-3)19(24-9-4-10-25-19)13-5-7-15(20)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3
InChIKey FNVIRLIJANKQSG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol502428h
Molecular Weight 380.492 g/mol
SMILES C1(SCCCS1)(c1cc(c(c(OC)c1)OC)OC)c1ccc(cc1)F
SPLASH splash10-0a59-0129000000-84fb1b53259e23480e19
Source of Spectrum A1-16-4730/SMS8-Table2,Entry12
Synonyms 2-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-dithiane
Wiley ID 1751295