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N-(1,3-benzodioxol-5-ylmethyl)-6-(2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-

View entire compound with spectra: 1 NMR

N-(1,3-benzodioxol-5-ylmethyl)-6-(2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-
SpectraBase Compound ID 8ikL5nWrfg8
InChI InChI=1S/C29H27F3N4O6S/c30-29(31,32)19-5-4-6-20(14-19)34-25(38)16-36-21-10-12-43-26(21)27(39)35(28(36)40)11-3-1-2-7-24(37)33-15-18-8-9-22-23(13-18)42-17-41-22/h4-6,8-10,12-14H,1-3,7,11,15-17H2,(H,33,37)(H,34,38)
InChIKey DSTNEQHKEVJVBL-UHFFFAOYSA-N
Mol Weight 616.61 g/mol
Molecular Formula C29H27F3N4O6S
Exact Mass 616.16034 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IxirtChX1gq
Name N-(1,3-benzodioxol-5-ylmethyl)-6-(2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 616.160340262 u
Formula C29H27F3N4O6S
InChI InChI=1S/C29H27F3N4O6S/c30-29(31,32)19-5-4-6-20(14-19)34-25(38)16-36-21-10-12-43-26(21)27(39)35(28(36)40)11-3-1-2-7-24(37)33-15-18-8-9-22-23(13-18)42-17-41-22/h4-6,8-10,12-14H,1-3,7,11,15-17H2,(H,33,37)(H,34,38)
InChIKey DSTNEQHKEVJVBL-UHFFFAOYSA-N
Molecular Weight 616.612 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6004
Solvent DMSO-d6
Source Vendor ID: NMR/12328028