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2-(3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methylphenyl)acetamide
SpectraBase Compound ID 3sUmUP1ew8Z
InChI InChI=1S/C25H21Cl2N3O3S/c1-14-6-8-15(9-7-14)28-21(31)13-29-24-22(17-4-2-3-5-20(17)34-24)23(32)30(25(29)33)16-10-11-18(26)19(27)12-16/h6-12H,2-5,13H2,1H3,(H,28,31)
InChIKey FEBOLNGTLKCOHG-UHFFFAOYSA-N
Mol Weight 514.43 g/mol
Molecular Formula C25H21Cl2N3O3S
Exact Mass 513.068068 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Aq7sbjtZ4K9
Name 2-(3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methylphenyl)acetamide
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 513.068068119 u
Formula C25H21Cl2N3O3S
InChI InChI=1S/C25H21Cl2N3O3S/c1-14-6-8-15(9-7-14)28-21(31)13-29-24-22(17-4-2-3-5-20(17)34-24)23(32)30(25(29)33)16-10-11-18(26)19(27)12-16/h6-12H,2-5,13H2,1H3,(H,28,31)
InChIKey FEBOLNGTLKCOHG-UHFFFAOYSA-N
Molecular Weight 514.427 g/mol
NMR Offset 18.0146
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9358
Solvent DMSO-d6
Source Vendor ID: NMR/13229227