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N-(1,3-benzodioxol-5-ylmethyl)-6-(1-[2-(4-bromophenyl)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide

View entire compound with spectra: 1 NMR

N-(1,3-benzodioxol-5-ylmethyl)-6-(1-[2-(4-bromophenyl)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
SpectraBase Compound ID DZSlT0YxLot
InChI InChI=1S/C28H26BrN3O6S/c29-20-8-6-19(7-9-20)22(33)16-32-21-11-13-39-26(21)27(35)31(28(32)36)12-3-1-2-4-25(34)30-15-18-5-10-23-24(14-18)38-17-37-23/h5-11,13-14H,1-4,12,15-17H2,(H,30,34)
InChIKey RRGWMKMGVQQYJH-UHFFFAOYSA-N
Mol Weight 612.5 g/mol
Molecular Formula C28H26BrN3O6S
Exact Mass 611.07257 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1b8T4vY6N32
Name N-(1,3-benzodioxol-5-ylmethyl)-6-(1-[2-(4-bromophenyl)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 611.072569737 u
Formula C28H26BrN3O6S
InChI InChI=1S/C28H26BrN3O6S/c29-20-8-6-19(7-9-20)22(33)16-32-21-11-13-39-26(21)27(35)31(28(32)36)12-3-1-2-4-25(34)30-15-18-5-10-23-24(14-18)38-17-37-23/h5-11,13-14H,1-4,12,15-17H2,(H,30,34)
InChIKey RRGWMKMGVQQYJH-UHFFFAOYSA-N
Molecular Weight 612.495 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6734
Solvent DMSO-d6
Source Vendor ID: NMR/12329075