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

*Links on SpectraBase are not permalinks.
4-{5-[(E)-(1-(3-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID 2hTieLebEPw
InChI InChI=1S/C23H16N2O6/c1-13-3-2-4-16(11-13)25-21(27)18(20(26)24-23(25)30)12-17-9-10-19(31-17)14-5-7-15(8-6-14)22(28)29/h2-12H,1H3,(H,28,29)(H,24,26,30)/b18-12+
InChIKey NHLXCIIGHLIFCK-LDADJPATSA-N
Mol Weight 416.39 g/mol
Molecular Formula C23H16N2O6
Exact Mass 416.100836 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 CbN7mtik1mk
Name 4-{5-[(E)-(1-(3-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}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/C23H16N2O6/c1-13-3-2-4-16(11-13)25-21(27)18(20(26)24-23(25)30)12-17-9-10-19(31-17)14-5-7-15(8-6-14)22(28)29/h2-12H,1H3,(H,28,29)(H,24,26,30)/b18-12+
InChIKey NHLXCIIGHLIFCK-LDADJPATSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2642
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: ZI/8139104; Labnumber: LD-120315