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methyl 3-{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoate
SpectraBase Compound ID 4uZu3efKK2Y
InChI InChI=1S/C22H23N3O4S/c1-12-10-15(11-17-19(26)23(4)22(30)24(5)20(17)27)14(3)25(12)18-9-7-8-16(13(18)2)21(28)29-6/h7-11H,1-6H3
InChIKey WBJJDPNYEDAFAP-UHFFFAOYSA-N
Mol Weight 425.5 g/mol
Molecular Formula C22H23N3O4S
Exact Mass 425.140927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GIl80ijruH9
Name methyl 3-{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-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/C22H23N3O4S/c1-12-10-15(11-17-19(26)23(4)22(30)24(5)20(17)27)14(3)25(12)18-9-7-8-16(13(18)2)21(28)29-6/h7-11H,1-6H3
InChIKey WBJJDPNYEDAFAP-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8367
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: 9686392; UBI_ID: UBI-008370
Temperature 308 °C