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3-(3,4-dimethylphenyl)-1-(4-nitrobenzyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
SpectraBase Compound ID J7nWiytSfEW
InChI InChI=1S/C26H25N3O4S/c1-16-8-11-20(14-17(16)2)28-24(30)23-21-6-4-3-5-7-22(21)34-25(23)27(26(28)31)15-18-9-12-19(13-10-18)29(32)33/h8-14H,3-7,15H2,1-2H3
InChIKey AIWXIYHRAVOQQT-UHFFFAOYSA-N
Mol Weight 475.56 g/mol
Molecular Formula C26H25N3O4S
Exact Mass 475.156577 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ClJsBmnqv4h
Name 3-(3,4-dimethylphenyl)-1-(4-nitrobenzyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.156577467 u
Formula C26H25N3O4S
InChI InChI=1S/C26H25N3O4S/c1-16-8-11-20(14-17(16)2)28-24(30)23-21-6-4-3-5-7-22(21)34-25(23)27(26(28)31)15-18-9-12-19(13-10-18)29(32)33/h8-14H,3-7,15H2,1-2H3
InChIKey AIWXIYHRAVOQQT-UHFFFAOYSA-N
Molecular Weight 475.563 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6035
Solvent DMSO-d6
Source Vendor ID: NMR/12328067