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

View entire compound with spectra: 1 NMR

methyl 4-{2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}-3-methylbenzoate
SpectraBase Compound ID BBZRT7kvTGs
InChI InChI=1S/C21H21N3O5/c1-11-8-14(20(27)29-5)6-7-17(11)24-12(2)9-15(13(24)3)10-16-18(25)22-21(28)23(4)19(16)26/h6-10H,1-5H3,(H,22,25,28)/b16-10+
InChIKey JDVLZTDNDAHTBN-MHWRWJLKSA-N
Mol Weight 395.42 g/mol
Molecular Formula C21H21N3O5
Exact Mass 395.148121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B5GuAx2lhK6
Name methyl 4-{2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}-3-methylbenzoate
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/C21H21N3O5/c1-11-8-14(20(27)29-5)6-7-17(11)24-12(2)9-15(13(24)3)10-16-18(25)22-21(28)23(4)19(16)26/h6-10H,1-5H3,(H,22,25,28)/b16-10+
InChIKey JDVLZTDNDAHTBN-MHWRWJLKSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10095
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: 1001643; UBI_ID: UBI-010098
Synonyms methyl 4-{2,5-dimethyl-3-[(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}-3-methylbenzoate
Temperature 315 °C