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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)methyl]benzonitrile

View entire compound with spectra: 1 NMR

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)methyl]benzonitrile
SpectraBase Compound ID IEAyfZlLXA2
InChI InChI=1S/C27H25N3O2S/c1-17-12-13-21(14-18(17)2)30-25(31)24-22-10-4-3-5-11-23(22)33-26(24)29(27(30)32)16-20-9-7-6-8-19(20)15-28/h6-9,12-14H,3-5,10-11,16H2,1-2H3
InChIKey PUOGAOWTEOXWNS-UHFFFAOYSA-N
Mol Weight 455.58 g/mol
Molecular Formula C27H25N3O2S
Exact Mass 455.166748 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FCpiT86Nj34
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)methyl]benzonitrile
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.166748229 u
Formula C27H25N3O2S
InChI InChI=1S/C27H25N3O2S/c1-17-12-13-21(14-18(17)2)30-25(31)24-22-10-4-3-5-11-23(22)33-26(24)29(27(30)32)16-20-9-7-6-8-19(20)15-28/h6-9,12-14H,3-5,10-11,16H2,1-2H3
InChIKey PUOGAOWTEOXWNS-UHFFFAOYSA-N
Molecular Weight 455.576 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6034
Solvent DMSO-d6
Source Vendor ID: NMR/12328066