For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

N-(1,3-benzodioxol-5-ylmethyl)-4-(1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
SpectraBase Compound ID FwJrNvxbatY
InChI InChI=1S/C28H28N4O6S/c1-17-5-7-20(18(2)12-17)30-25(34)15-32-21-9-11-39-26(21)27(35)31(28(32)36)10-3-4-24(33)29-14-19-6-8-22-23(13-19)38-16-37-22/h5-9,11-13H,3-4,10,14-16H2,1-2H3,(H,29,33)(H,30,34)
InChIKey OPBXIYGJEFHXBC-UHFFFAOYSA-N
Mol Weight 548.61 g/mol
Molecular Formula C28H28N4O6S
Exact Mass 548.172956 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8DVbhvHYUuR
Name N-(1,3-benzodioxol-5-ylmethyl)-4-(1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.172955806 u
Formula C28H28N4O6S
InChI InChI=1S/C28H28N4O6S/c1-17-5-7-20(18(2)12-17)30-25(34)15-32-21-9-11-39-26(21)27(35)31(28(32)36)10-3-4-24(33)29-14-19-6-8-22-23(13-19)38-16-37-22/h5-9,11-13H,3-4,10,14-16H2,1-2H3,(H,29,33)(H,30,34)
InChIKey OPBXIYGJEFHXBC-UHFFFAOYSA-N
Molecular Weight 548.614 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6322
Solvent DMSO-d6
Source Vendor ID: NMR/12328468