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benzoic acid, 4-[(2-[[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)methyl]-

View entire compound with spectra: 1 NMR

benzoic acid, 4-[(2-[[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)methyl]-
SpectraBase Compound ID Jg1l4Zvle6t
InChI InChI=1S/C23H15BrN4O4S2/c24-15-5-6-18-25-16(9-19(29)27(18)11-15)12-34-23-26-17-7-8-33-20(17)21(30)28(23)10-13-1-3-14(4-2-13)22(31)32/h1-9,11H,10,12H2,(H,31,32)
InChIKey NFIQMJLFMHXQNI-UHFFFAOYSA-N
Mol Weight 555.42 g/mol
Molecular Formula C23H15BrN4O4S2
Exact Mass 553.97181 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ioDLCWz3aD
Name benzoic acid, 4-[(2-[[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)methyl]-
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/C23H15BrN4O4S2/c24-15-5-6-18-25-16(9-19(29)27(18)11-15)12-34-23-26-17-7-8-33-20(17)21(30)28(23)10-13-1-3-14(4-2-13)22(31)32/h1-9,11H,10,12H2,(H,31,32)
InChIKey NFIQMJLFMHXQNI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6725
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/11328337