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1,3-Benzenediol, o-(4-fluorobenzoyl)-o'-phenylthioacetyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

1,3-Benzenediol, o-(4-fluorobenzoyl)-o'-phenylthioacetyl-
SpectraBase Compound ID 6llvixrJJ5S
InChI InChI=1S/C21H15FO4S/c22-16-11-9-15(10-12-16)21(24)26-18-6-4-5-17(13-18)25-20(23)14-27-19-7-2-1-3-8-19/h1-13H,14H2
InChIKey JZEGSVKAZGLUNK-UHFFFAOYSA-N
Mol Weight 382.41 g/mol
Molecular Formula C21H15FO4S
Exact Mass 382.067508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DyH92GKH6tQ
Name 1,3-Benzenediol, o-(4-fluorobenzoyl)-o'-phenylthioacetyl-
Comments Computed using HOSE algorithm
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Exact Mass 382.067508296 u
Formula C21H15FO4S
InChI InChI=1S/C21H15FO4S/c22-16-11-9-15(10-12-16)21(24)26-18-6-4-5-17(13-18)25-20(23)14-27-19-7-2-1-3-8-19/h1-13H,14H2
InChIKey JZEGSVKAZGLUNK-UHFFFAOYSA-N
Molecular Weight 382.405 g/mol
SMILES C1(=CC(=CC=C1)OC(C1=CC=C(C=C1)F)=O)OC(CSC1=CC=CC=C1)=O