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N-(1,3-benzodioxol-5-ylmethyl)-6-(1-(4-chlorobenzyl)-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-(4-chlorobenzyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
SpectraBase Compound ID JyswwGAgt4U
InChI InChI=1S/C27H26ClN3O5S/c28-20-8-5-18(6-9-20)16-31-21-11-13-37-25(21)26(33)30(27(31)34)12-3-1-2-4-24(32)29-15-19-7-10-22-23(14-19)36-17-35-22/h5-11,13-14H,1-4,12,15-17H2,(H,29,32)
InChIKey YLWKROMNOUVTPQ-UHFFFAOYSA-N
Mol Weight 540.03 g/mol
Molecular Formula C27H26ClN3O5S
Exact Mass 539.12817 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3SF1G7VT9Ku
Name N-(1,3-benzodioxol-5-ylmethyl)-6-(1-(4-chlorobenzyl)-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 539.128169818 u
Formula C27H26ClN3O5S
InChI InChI=1S/C27H26ClN3O5S/c28-20-8-5-18(6-9-20)16-31-21-11-13-37-25(21)26(33)30(27(31)34)12-3-1-2-4-24(32)29-15-19-7-10-22-23(14-19)36-17-35-22/h5-11,13-14H,1-4,12,15-17H2,(H,29,32)
InChIKey YLWKROMNOUVTPQ-UHFFFAOYSA-N
Molecular Weight 540.034 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6730
Solvent DMSO-d6
Source Vendor ID: NMR/12329070