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3-(4-chlorophenyl)-5,6-dimethyl-1-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 4I81dMVpsy8
InChI InChI=1S/C22H24ClN3O3S/c1-13-6-4-5-11-24(13)18(27)12-25-21-19(14(2)15(3)30-21)20(28)26(22(25)29)17-9-7-16(23)8-10-17/h7-10,13H,4-6,11-12H2,1-3H3
InChIKey AWTWHQFARXTJKK-UHFFFAOYSA-N
Mol Weight 445.97 g/mol
Molecular Formula C22H24ClN3O3S
Exact Mass 445.122691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8NhpBRmfkHC
Name 3-(4-chlorophenyl)-5,6-dimethyl-1-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thieno[2,3-d]pyrimidine-2,4(1H,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 445.122690516 u
Formula C22H24ClN3O3S
InChI InChI=1S/C22H24ClN3O3S/c1-13-6-4-5-11-24(13)18(27)12-25-21-19(14(2)15(3)30-21)20(28)26(22(25)29)17-9-7-16(23)8-10-17/h7-10,13H,4-6,11-12H2,1-3H3
InChIKey AWTWHQFARXTJKK-UHFFFAOYSA-N
Molecular Weight 445.965 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2537
Solvent DMSO-d6
Source Vendor ID: NMR/12279607