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3-[(3-bromo-4-fluorophenyl)(4-methyl-2-oxo-2H-thiochromen-3-yl)methyl]-4-methyl-2H-thiochromen-2-one
SpectraBase Compound ID 32DGwpKZH4x
InChI InChI=1S/C25H14BrFO4S2/c26-15-11-12(9-10-16(15)27)19(20-22(28)13-5-1-3-7-17(13)32-24(20)30)21-23(29)14-6-2-4-8-18(14)33-25(21)31/h1-11,19,28-29H
InChIKey NQYSCTBSHQKXDS-UHFFFAOYSA-N
Mol Weight 541.41 g/mol
Molecular Formula C25H14BrFO4S2
Exact Mass 539.950092 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HX781nfAy4O
Name 3-[(3-bromo-4-fluorophenyl)(4-methyl-2-oxo-2H-thiochromen-3-yl)methyl]-4-methyl-2H-thiochromen-2-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.950092438 u
Formula C25H14BrFO4S2
InChI InChI=1S/C25H14BrFO4S2/c26-15-11-12(9-10-16(15)27)19(20-22(28)13-5-1-3-7-17(13)32-24(20)30)21-23(29)14-6-2-4-8-18(14)33-25(21)31/h1-11,19,28-29H
InChIKey NQYSCTBSHQKXDS-UHFFFAOYSA-N
Molecular Weight 541.405 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_3092
Solvent DMSO-d6
Source Vendor ID: NMR/13278258