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N-(1,3-benzodioxol-5-ylmethyl)-6-(1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
SpectraBase Compound ID LoHahDONkh0
InChI InChI=1S/C28H34N4O6S/c33-24(29-16-19-10-11-22-23(15-19)38-18-37-22)9-5-2-6-13-31-27(35)26-21(12-14-39-26)32(28(31)36)17-25(34)30-20-7-3-1-4-8-20/h10-12,14-15,20H,1-9,13,16-18H2,(H,29,33)(H,30,34)
InChIKey YMRTYQHEELVFKO-UHFFFAOYSA-N
Mol Weight 554.7 g/mol
Molecular Formula C28H34N4O6S
Exact Mass 554.219906 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cod0sgqG92m
Name N-(1,3-benzodioxol-5-ylmethyl)-6-(1-[2-(cyclohexylamino)-2-oxoethyl]-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 554.219905999 u
Formula C28H34N4O6S
InChI InChI=1S/C28H34N4O6S/c33-24(29-16-19-10-11-22-23(15-19)38-18-37-22)9-5-2-6-13-31-27(35)26-21(12-14-39-26)32(28(31)36)17-25(34)30-20-7-3-1-4-8-20/h10-12,14-15,20H,1-9,13,16-18H2,(H,29,33)(H,30,34)
InChIKey YMRTYQHEELVFKO-UHFFFAOYSA-N
Molecular Weight 554.662 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6005
Solvent DMSO-d6
Source Vendor ID: NMR/12328029