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N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
SpectraBase Compound ID CEXL15rkD3L
InChI InChI=1S/C25H30N4O7S/c1-34-11-9-26-22(31)15-29-18-8-12-37-23(18)24(32)28(25(29)33)10-4-2-3-5-21(30)27-14-17-6-7-19-20(13-17)36-16-35-19/h6-8,12-13H,2-5,9-11,14-16H2,1H3,(H,26,31)(H,27,30)
InChIKey RJTLEYXISKGUKP-UHFFFAOYSA-N
Mol Weight 530.6 g/mol
Molecular Formula C25H30N4O7S
Exact Mass 530.18352 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E7PVcCxGZr6
Name N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[(2-methoxyethyl)amino]-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 530.183520489 u
Formula C25H30N4O7S
InChI InChI=1S/C25H30N4O7S/c1-34-11-9-26-22(31)15-29-18-8-12-37-23(18)24(32)28(25(29)33)10-4-2-3-5-21(30)27-14-17-6-7-19-20(13-17)36-16-35-19/h6-8,12-13H,2-5,9-11,14-16H2,1H3,(H,26,31)(H,27,30)
InChIKey RJTLEYXISKGUKP-UHFFFAOYSA-N
Molecular Weight 530.596 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6736
Solvent DMSO-d6
Source Vendor ID: NMR/12329078