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1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(3,4-dimethylphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

View entire compound with spectra: 1 NMR

1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(3,4-dimethylphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
SpectraBase Compound ID LxQmV4VLrBM
InChI InChI=1S/C27H25ClN2O3S/c1-16-8-13-20(14-17(16)2)30-25(32)24-21-6-4-3-5-7-23(21)34-26(24)29(27(30)33)15-22(31)18-9-11-19(28)12-10-18/h8-14H,3-7,15H2,1-2H3
InChIKey MWXXQOOSHZDLTH-UHFFFAOYSA-N
Mol Weight 493.02 g/mol
Molecular Formula C27H25ClN2O3S
Exact Mass 492.127442 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L3EhemvjRuw
Name 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(3,4-dimethylphenyl)-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 492.127441544 u
Formula C27H25ClN2O3S
InChI InChI=1S/C27H25ClN2O3S/c1-16-8-13-20(14-17(16)2)30-25(32)24-21-6-4-3-5-7-23(21)34-26(24)29(27(30)33)15-22(31)18-9-11-19(28)12-10-18/h8-14H,3-7,15H2,1-2H3
InChIKey MWXXQOOSHZDLTH-UHFFFAOYSA-N
Molecular Weight 493.021 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6025
Solvent DMSO-d6
Source Vendor ID: NMR/12328056