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3-(3,4-dimethylphenyl)-1-(2-oxo-2-phenylethyl)-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

3-(3,4-dimethylphenyl)-1-(2-oxo-2-phenylethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
SpectraBase Compound ID DHBjsna3sXi
InChI InChI=1S/C27H26N2O3S/c1-17-13-14-20(15-18(17)2)29-25(31)24-21-11-7-4-8-12-23(21)33-26(24)28(27(29)32)16-22(30)19-9-5-3-6-10-19/h3,5-6,9-10,13-15H,4,7-8,11-12,16H2,1-2H3
InChIKey HMCCKWQRKMVMAI-UHFFFAOYSA-N
Mol Weight 458.58 g/mol
Molecular Formula C27H26N2O3S
Exact Mass 458.166414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 288dDIBYoV1
Name 3-(3,4-dimethylphenyl)-1-(2-oxo-2-phenylethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.166413876 u
Formula C27H26N2O3S
InChI InChI=1S/C27H26N2O3S/c1-17-13-14-20(15-18(17)2)29-25(31)24-21-11-7-4-8-12-23(21)33-26(24)28(27(29)32)16-22(30)19-9-5-3-6-10-19/h3,5-6,9-10,13-15H,4,7-8,11-12,16H2,1-2H3
InChIKey HMCCKWQRKMVMAI-UHFFFAOYSA-N
Molecular Weight 458.576 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6359
Solvent DMSO-d6
Source Vendor ID: NMR/12328520