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N-(2-chlorobenzyl)-6-(1-(4-nitrobenzyl)-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-(4-nitrobenzyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
SpectraBase Compound ID JZSEkIVxbFW
InChI InChI=1S/C26H25ClN4O5S/c27-21-7-4-3-6-19(21)16-28-23(32)8-2-1-5-14-29-25(33)24-22(13-15-37-24)30(26(29)34)17-18-9-11-20(12-10-18)31(35)36/h3-4,6-7,9-13,15H,1-2,5,8,14,16-17H2,(H,28,32)
InChIKey NCEXNEJEONGOKC-UHFFFAOYSA-N
Mol Weight 541.02 g/mol
Molecular Formula C26H25ClN4O5S
Exact Mass 540.123419 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 86Gcfd0wVYH
Name N-(2-chlorobenzyl)-6-(1-(4-nitrobenzyl)-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 540.123418790 u
Formula C26H25ClN4O5S
InChI InChI=1S/C26H25ClN4O5S/c27-21-7-4-3-6-19(21)16-28-23(32)8-2-1-5-14-29-25(33)24-22(13-15-37-24)30(26(29)34)17-18-9-11-20(12-10-18)31(35)36/h3-4,6-7,9-13,15H,1-2,5,8,14,16-17H2,(H,28,32)
InChIKey NCEXNEJEONGOKC-UHFFFAOYSA-N
Molecular Weight 541.022 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6777
Solvent DMSO-d6
Source Vendor ID: NMR/12329127