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ethyl 4-{[(E)-(1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
SpectraBase Compound ID 7AQQEik3NDA
InChI InChI=1S/C22H21N3O5/c1-4-30-21(28)15-6-8-16(9-7-15)23-12-18-19(26)24-22(29)25(20(18)27)17-10-5-13(2)14(3)11-17/h5-12,23H,4H2,1-3H3,(H,24,26,29)/b18-12+
InChIKey RTSIMANDKHVQJR-LDADJPATSA-N
Mol Weight 407.43 g/mol
Molecular Formula C22H21N3O5
Exact Mass 407.148121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L407CjjttPA
Name ethyl 4-{[(E)-(1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
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/C22H21N3O5/c1-4-30-21(28)15-6-8-16(9-7-15)23-12-18-19(26)24-22(29)25(20(18)27)17-10-5-13(2)14(3)11-17/h5-12,23H,4H2,1-3H3,(H,24,26,29)/b18-12+
InChIKey RTSIMANDKHVQJR-LDADJPATSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9000
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: D40189; Labnumber: KKA-0211-3722; SBI_ID: SBI-009003
Synonyms ethyl 4-{[(1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
Temperature 306 °C