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2-Propenedithioic acid, 3-(4-fluorophenyl)-3-hydroxy-
SpectraBase Compound ID HkpiTX3ZXuZ
InChI InChI=1S/C9H7FOS2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-5,11H,(H,12,13)/b8-5-
InChIKey OFYAMVIQYBHDBO-YVMONPNESA-N
Mol Weight 214.27 g/mol
Molecular Formula C9H7FOS2
Exact Mass 213.992235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JW1vrRDL9tr
Name 2-Propenedithioic acid, 3-(4-fluorophenyl)-3-hydroxy-
CAS Registry Number 54815-08-6
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7FOS2
InChI InChI=1S/C9H7FOS2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-5,11H,(H,12,13)/b8-5-
InChIKey OFYAMVIQYBHDBO-YVMONPNESA-N
Molecular Weight 214.272 g/mol
SMILES O\C(=C/C(S)=S)c1ccc(cc1)F
SPLASH splash10-00ds-9610000000-0aee56bef854d5ba0d52
Source of Spectrum F-28-5348-6
Synonyms (2Z)-3-(4-Fluorophenyl)-3-hydroxy-2-propenedithioic acid 3-(4-fluorophenyl)-3-keto-propanedithioate
Wiley ID 1213034