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Methyl (5-Phenylthio-2,4-cyclohexadienyl)phenylsulfonyl)acetate
SpectraBase Compound ID 7GZnTuOfDAd
InChI InChI=1S/C21H20O4S2/c1-25-21(22)20(27(23,24)19-13-6-3-7-14-19)16-9-8-12-18(15-16)26-17-10-4-2-5-11-17/h2-14,16,20H,15H2,1H3
InChIKey LVGGFZHVOCRTFL-UHFFFAOYSA-N
Mol Weight 400.51 g/mol
Molecular Formula C21H20O4S2
Exact Mass 400.080301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wBGc10j7pu
Name Methyl (5-Phenylthio-2,4-cyclohexadienyl)phenylsulfonyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O4S2
InChI InChI=1S/C21H20O4S2/c1-25-21(22)20(27(23,24)19-13-6-3-7-14-19)16-9-8-12-18(15-16)26-17-10-4-2-5-11-17/h2-14,16,20H,15H2,1H3
InChIKey LVGGFZHVOCRTFL-UHFFFAOYSA-N
Molecular Weight 400.507 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C1CC(Sc2ccccc2)=CC=C1)C(=O)OC
SPLASH splash10-002b-3942000000-ab91d618178a5715b983
Source of Spectrum QA-43-362-10g
Wiley ID 862257