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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

4-{2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}-3-methylbenzoic acid
SpectraBase Compound ID 9svwaT0ceYg
InChI InChI=1S/C20H19N3O5/c1-10-7-13(19(26)27)5-6-16(10)23-11(2)8-14(12(23)3)9-15-17(24)21-20(28)22(4)18(15)25/h5-9H,1-4H3,(H,26,27)(H,21,24,28)/b15-9+
InChIKey LVKQQODCQDEJII-OQLLNIDSSA-N
Mol Weight 381.39 g/mol
Molecular Formula C20H19N3O5
Exact Mass 381.132471 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 KjtU0VW8eUl
Name 4-{2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}-3-methylbenzoic 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/C20H19N3O5/c1-10-7-13(19(26)27)5-6-16(10)23-11(2)8-14(12(23)3)9-15-17(24)21-20(28)22(4)18(15)25/h5-9H,1-4H3,(H,26,27)(H,21,24,28)/b15-9+
InChIKey LVKQQODCQDEJII-OQLLNIDSSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10079
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: 1001811; UBI_ID: UBI-010082
Synonyms 4-{2,5-dimethyl-3-[(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}-3-methylbenzoic acid
Temperature 315 °C