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1,3-benzenedicarboxylic acid, 5-[[[[3,4-dihydro-4-oxo-5-phenyl-3-(2-propenyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-, dimethyl ester

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1,3-benzenedicarboxylic acid, 5-[[[[3,4-dihydro-4-oxo-5-phenyl-3-(2-propenyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-, dimethyl ester
SpectraBase Compound ID 4dH8CBKZTFa
InChI InChI=1S/C27H23N3O6S2/c1-4-10-30-24(32)22-20(16-8-6-5-7-9-16)14-37-23(22)29-27(30)38-15-21(31)28-19-12-17(25(33)35-2)11-18(13-19)26(34)36-3/h4-9,11-14H,1,10,15H2,2-3H3,(H,28,31)
InChIKey LWKKYHYNYOZWCB-UHFFFAOYSA-N
Mol Weight 549.62 g/mol
Molecular Formula C27H23N3O6S2
Exact Mass 549.102828 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5bEUKiTy3H5
Name 1,3-benzenedicarboxylic acid, 5-[[[[3,4-dihydro-4-oxo-5-phenyl-3-(2-propenyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-, dimethyl 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/C27H23N3O6S2/c1-4-10-30-24(32)22-20(16-8-6-5-7-9-16)14-37-23(22)29-27(30)38-15-21(31)28-19-12-17(25(33)35-2)11-18(13-19)26(34)36-3/h4-9,11-14H,1,10,15H2,2-3H3,(H,28,31)
InChIKey LWKKYHYNYOZWCB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_943
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/11228652