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N-(sec-butyl)-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)acetamide

View entire compound with spectra: 1 NMR

N-(sec-butyl)-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)acetamide
SpectraBase Compound ID 8TT1MEdQHXB
InChI InChI=1S/C25H31N3O3S/c1-5-17(4)26-21(29)14-27-24-22(19-9-7-6-8-10-20(19)32-24)23(30)28(25(27)31)18-12-11-15(2)16(3)13-18/h11-13,17H,5-10,14H2,1-4H3,(H,26,29)
InChIKey VCQGVHGZWCGVDH-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 CnW3UQeItWr
Name N-(sec-butyl)-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)acetamide
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/c1-5-17(4)26-21(29)14-27-24-22(19-9-7-6-8-10-20(19)32-24)23(30)28(25(27)31)18-12-11-15(2)16(3)13-18/h11-13,17H,5-10,14H2,1-4H3,(H,26,29)
InChIKey VCQGVHGZWCGVDH-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_6031
Solvent DMSO-d6
Source Vendor ID: NMR/12328063