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benzoic acid, 2-[[[[3-[4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutyl]-3,4-dihydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]acetyl]amino]-, methyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 2-[[[[3-[4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutyl]-3,4-dihydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]acetyl]amino]-, methyl ester
SpectraBase Compound ID DsCyJpgfTjL
InChI InChI=1S/C28H26N4O7S2/c1-37-27(36)18-5-2-3-6-19(18)30-24(34)15-41-28-31-20-10-12-40-25(20)26(35)32(28)11-4-7-23(33)29-14-17-8-9-21-22(13-17)39-16-38-21/h2-3,5-6,8-10,12-13H,4,7,11,14-16H2,1H3,(H,29,33)(H,30,34)
InChIKey UVCMXMGFLRYHNT-UHFFFAOYSA-N
Mol Weight 594.66 g/mol
Molecular Formula C28H26N4O7S2
Exact Mass 594.124292 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2pdpbi7AKak
Name benzoic acid, 2-[[[[3-[4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutyl]-3,4-dihydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]acetyl]amino]-, methyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H26N4O7S2/c1-37-27(36)18-5-2-3-6-19(18)30-24(34)15-41-28-31-20-10-12-40-25(20)26(35)32(28)11-4-7-23(33)29-14-17-8-9-21-22(13-17)39-16-38-21/h2-3,5-6,8-10,12-13H,4,7,11,14-16H2,1H3,(H,29,33)(H,30,34)
InChIKey UVCMXMGFLRYHNT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6715
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11328325