For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-chloro-4-{2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid

View entire compound with spectra: 1 NMR

2-chloro-4-{2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
SpectraBase Compound ID 8GkiWoHYAHo
InChI InChI=1S/C19H16ClN3O5/c1-9-6-11(7-14-16(24)21-19(28)22(3)17(14)25)10(2)23(9)12-4-5-13(18(26)27)15(20)8-12/h4-8H,1-3H3,(H,26,27)(H,21,24,28)/b14-7+
InChIKey XSQFPMLPMXKZOJ-VGOFMYFVSA-N
Mol Weight 401.81 g/mol
Molecular Formula C19H16ClN3O5
Exact Mass 401.077848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8KB7HpghDJS
Name 2-chloro-4-{2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
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/C19H16ClN3O5/c1-9-6-11(7-14-16(24)21-19(28)22(3)17(14)25)10(2)23(9)12-4-5-13(18(26)27)15(20)8-12/h4-8H,1-3H3,(H,26,27)(H,21,24,28)/b14-7+
InChIKey XSQFPMLPMXKZOJ-VGOFMYFVSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3560
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: 113191; Labnumber: PAVL-218214; VK_ID: VK-003561
Synonyms 2-chloro-4-{2,5-dimethyl-3-[(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Temperature 308 °C