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N-(2-chlorobenzyl)-6-(1-(2-cyanobenzyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide

View entire compound with spectra: 1 NMR

N-(2-chlorobenzyl)-6-(1-(2-cyanobenzyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
SpectraBase Compound ID AIl2pGyhvsL
InChI InChI=1S/C27H25ClN4O3S/c28-22-11-6-5-9-20(22)17-30-24(33)12-2-1-7-14-31-26(34)25-23(13-15-36-25)32(27(31)35)18-21-10-4-3-8-19(21)16-29/h3-6,8-11,13,15H,1-2,7,12,14,17-18H2,(H,30,33)
InChIKey NITNUKOVKVBMNK-UHFFFAOYSA-N
Mol Weight 521.04 g/mol
Molecular Formula C27H25ClN4O3S
Exact Mass 520.13359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Kze1TsuelO
Name N-(2-chlorobenzyl)-6-(1-(2-cyanobenzyl)-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 520.133589552 u
Formula C27H25ClN4O3S
InChI InChI=1S/C27H25ClN4O3S/c28-22-11-6-5-9-20(22)17-30-24(33)12-2-1-7-14-31-26(34)25-23(13-15-36-25)32(27(31)35)18-21-10-4-3-8-19(21)16-29/h3-6,8-11,13,15H,1-2,7,12,14,17-18H2,(H,30,33)
InChIKey NITNUKOVKVBMNK-UHFFFAOYSA-N
Molecular Weight 521.035 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6776
Solvent DMSO-d6
Source Vendor ID: NMR/12329126