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6-ethyl-2-(hexylsulfanyl)-6-methyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

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6-ethyl-2-(hexylsulfanyl)-6-methyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID 1gCD3A419sg
InChI InChI=1S/C25H32N2O2S2/c1-5-7-8-9-14-30-24-26-22-21(19-15-25(4,6-2)29-16-20(19)31-22)23(28)27(24)18-12-10-17(3)11-13-18/h10-13H,5-9,14-16H2,1-4H3
InChIKey QBBSQQJAAKVNDP-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C25H32N2O2S2
Exact Mass 456.190521 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 71LIVJxaJak
Name 6-ethyl-2-(hexylsulfanyl)-6-methyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-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 456.190520624 u
Formula C25H32N2O2S2
InChI InChI=1S/C25H32N2O2S2/c1-5-7-8-9-14-30-24-26-22-21(19-15-25(4,6-2)29-16-20(19)31-22)23(28)27(24)18-12-10-17(3)11-13-18/h10-13H,5-9,14-16H2,1-4H3
InChIKey QBBSQQJAAKVNDP-UHFFFAOYSA-N
Molecular Weight 456.663 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2066
Solvent DMSO-d6
Source Vendor ID: NMR/12278838