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benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-phenyl-2-[[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]thio]-

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benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-phenyl-2-[[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]thio]-
SpectraBase Compound ID 6h6D2iSzD9Q
InChI InChI=1S/C25H20F4N2O2S2/c26-23(27)25(28,29)33-17-12-10-15(11-13-17)14-34-24-30-21-20(18-8-4-5-9-19(18)35-21)22(32)31(24)16-6-2-1-3-7-16/h1-3,6-7,10-13,23H,4-5,8-9,14H2
InChIKey VKZZQWJJJAKWHY-UHFFFAOYSA-N
Mol Weight 520.56 g/mol
Molecular Formula C25H20F4N2O2S2
Exact Mass 520.090233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LE9kA4zKdel
Name benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-phenyl-2-[[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.090232890 u
Formula C25H20F4N2O2S2
InChI InChI=1S/C25H20F4N2O2S2/c26-23(27)25(28,29)33-17-12-10-15(11-13-17)14-34-24-30-21-20(18-8-4-5-9-19(18)35-21)22(32)31(24)16-6-2-1-3-7-16/h1-3,6-7,10-13,23H,4-5,8-9,14H2
InChIKey VKZZQWJJJAKWHY-UHFFFAOYSA-N
Molecular Weight 520.561 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3618
Solvent DMSO-d6
Source Vendor ID: NMR/9244672; Lab Info: LP; Lab Number: LP-2190698
Temperature 29.85 °C