For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,2-Benzendiol, o-(4-fluorobenzoyl)-o'-(phenylthioacetyl)-

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

1,2-Benzendiol, o-(4-fluorobenzoyl)-o'-(phenylthioacetyl)-
SpectraBase Compound ID BipP5DbDAhc
InChI InChI=1S/C21H15FO4S/c22-16-12-10-15(11-13-16)21(24)26-19-9-5-4-8-18(19)25-20(23)14-27-17-6-2-1-3-7-17/h1-13H,14H2
InChIKey MXLWOBDGGHJAFP-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4JJ5QZuak7z
Name 1,2-Benzendiol, o-(4-fluorobenzoyl)-o'-(phenylthioacetyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.067508296 u
Formula C21H15FO4S
InChI InChI=1S/C21H15FO4S/c22-16-12-10-15(11-13-16)21(24)26-19-9-5-4-8-18(19)25-20(23)14-27-17-6-2-1-3-7-17/h1-13H,14H2
InChIKey MXLWOBDGGHJAFP-UHFFFAOYSA-N
Molecular Weight 382.405 g/mol
SMILES C1(=CC=CC=C1OC(CSC1=CC=CC=C1)=O)OC(C1=CC=C(C=C1)F)=O