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3-thiazolidinebutanoic acid, 4-oxo-5-[[4-oxo-2-(1-piperidinyl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-thioxo-, (5Z)-

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3-thiazolidinebutanoic acid, 4-oxo-5-[[4-oxo-2-(1-piperidinyl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-thioxo-, (5Z)-
SpectraBase Compound ID AiwOFx9yPUe
InChI InChI=1S/C21H22N4O4S2/c26-17(27)8-6-12-25-20(29)15(31-21(25)30)13-14-18(23-9-3-1-4-10-23)22-16-7-2-5-11-24(16)19(14)28/h2,5,7,11,13H,1,3-4,6,8-10,12H2,(H,26,27)/b15-13-
InChIKey BIISLFOSEBJGPF-SQFISAMPSA-N
Mol Weight 458.55 g/mol
Molecular Formula C21H22N4O4S2
Exact Mass 458.108248 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J0FHqsSmmuM
Name 3-thiazolidinebutanoic acid, 4-oxo-5-[[4-oxo-2-(1-piperidinyl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-thioxo-, (5Z)-
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/C21H22N4O4S2/c26-17(27)8-6-12-25-20(29)15(31-21(25)30)13-14-18(23-9-3-1-4-10-23)22-16-7-2-5-11-24(16)19(14)28/h2,5,7,11,13H,1,3-4,6,8-10,12H2,(H,26,27)/b15-13-
InChIKey BIISLFOSEBJGPF-SQFISAMPSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2919
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/11248470