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3-[(4-ethoxyphenyl)(4-methyl-2-oxo-2H-thiochromen-3-yl)methyl]-4-methyl-2H-thiochromen-2-one
SpectraBase Compound ID BxfRgW5KrjJ
InChI InChI=1S/C27H20O5S2/c1-2-32-16-13-11-15(12-14-16)21(22-24(28)17-7-3-5-9-19(17)33-26(22)30)23-25(29)18-8-4-6-10-20(18)34-27(23)31/h3-14,21,28-29H,2H2,1H3
InChIKey LQAUWMRMHSYIMH-UHFFFAOYSA-N
Mol Weight 488.57 g/mol
Molecular Formula C27H20O5S2
Exact Mass 488.075216 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8UUfnxuiNXi
Name 3-[(4-ethoxyphenyl)(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 488.075216087 u
Formula C27H20O5S2
InChI InChI=1S/C27H20O5S2/c1-2-32-16-13-11-15(12-14-16)21(22-24(28)17-7-3-5-9-19(17)33-26(22)30)23-25(29)18-8-4-6-10-20(18)34-27(23)31/h3-14,21,28-29H,2H2,1H3
InChIKey LQAUWMRMHSYIMH-UHFFFAOYSA-N
Molecular Weight 488.572 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5086
Solvent DMSO-d6
Source Vendor ID: NMR/12318316