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

*Links on SpectraBase are not permalinks.

3-({2-methoxy-4-[(E)-(1-(3-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)benzoic acid

View entire compound with spectra: 1 NMR

3-({2-methoxy-4-[(E)-(1-(3-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)benzoic acid
SpectraBase Compound ID 8THFu0s49ip
InChI InChI=1S/C27H22N2O7/c1-16-5-3-8-20(11-16)29-25(31)21(24(30)28-27(29)34)13-17-9-10-22(23(14-17)35-2)36-15-18-6-4-7-19(12-18)26(32)33/h3-14H,15H2,1-2H3,(H,32,33)(H,28,30,34)/b21-13+
InChIKey XXPYSLGMPHJPAU-FYJGNVAPSA-N
Mol Weight 486.48 g/mol
Molecular Formula C27H22N2O7
Exact Mass 486.142701 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 5K2WjODBHpj
Name 3-({2-methoxy-4-[(E)-(1-(3-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)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/C27H22N2O7/c1-16-5-3-8-20(11-16)29-25(31)21(24(30)28-27(29)34)13-17-9-10-22(23(14-17)35-2)36-15-18-6-4-7-19(12-18)26(32)33/h3-14H,15H2,1-2H3,(H,32,33)(H,28,30,34)/b21-13+
InChIKey XXPYSLGMPHJPAU-FYJGNVAPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10049
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: 1000998; UBI_ID: UBI-010052
Synonyms 3-({2-methoxy-4-[(1-(3-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)benzoic acid
Temperature 318 °C