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2-(3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)-N,N-diethylacetamide

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2-(3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)-N,N-diethylacetamide
SpectraBase Compound ID AEpl2ysoFxs
InChI InChI=1S/C25H31N3O3S/c1-5-26(6-2)21(29)15-27-24-22(19-10-8-7-9-11-20(19)32-24)23(30)28(25(27)31)18-13-12-16(3)17(4)14-18/h12-14H,5-11,15H2,1-4H3
InChIKey YHAIIGZJMLZPLD-UHFFFAOYSA-N
Mol Weight 453.6 g/mol
Molecular Formula C25H31N3O3S
Exact Mass 453.208613 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID f3RWCnz2kl
Name 2-(3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)-N,N-diethylacetamide
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.208613041 u
Formula C25H31N3O3S
InChI InChI=1S/C25H31N3O3S/c1-5-26(6-2)21(29)15-27-24-22(19-10-8-7-9-11-20(19)32-24)23(30)28(25(27)31)18-13-12-16(3)17(4)14-18/h12-14H,5-11,15H2,1-4H3
InChIKey YHAIIGZJMLZPLD-UHFFFAOYSA-N
Molecular Weight 453.601 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6365
Solvent DMSO-d6
Source Vendor ID: NMR/12328526