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N-(1,3-benzodioxol-5-ylmethyl)-6-(1-(3,3-dimethyl-2-oxobutyl)-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-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
SpectraBase Compound ID 6dMFwxMRTmA
InChI InChI=1S/C26H31N3O6S/c1-26(2,3)21(30)15-29-18-10-12-36-23(18)24(32)28(25(29)33)11-6-4-5-7-22(31)27-14-17-8-9-19-20(13-17)35-16-34-19/h8-10,12-13H,4-7,11,14-16H2,1-3H3,(H,27,31)
InChIKey GQFAZVODAQPZDB-UHFFFAOYSA-N
Mol Weight 513.61 g/mol
Molecular Formula C26H31N3O6S
Exact Mass 513.193357 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7M9EmEtNft1
Name N-(1,3-benzodioxol-5-ylmethyl)-6-(1-(3,3-dimethyl-2-oxobutyl)-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 513.193356898 u
Formula C26H31N3O6S
InChI InChI=1S/C26H31N3O6S/c1-26(2,3)21(30)15-29-18-10-12-36-23(18)24(32)28(25(29)33)11-6-4-5-7-22(31)27-14-17-8-9-19-20(13-17)35-16-34-19/h8-10,12-13H,4-7,11,14-16H2,1-3H3,(H,27,31)
InChIKey GQFAZVODAQPZDB-UHFFFAOYSA-N
Molecular Weight 513.609 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6003
Solvent DMSO-d6
Source Vendor ID: NMR/12328027