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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}benzoate
SpectraBase Compound ID 9PG9dBGMraN
InChI InChI=1S/C21H21N3O4S/c1-12-9-15(11-17-18(25)22(3)21(29)23(4)19(17)26)13(2)24(12)16-8-6-7-14(10-16)20(27)28-5/h6-11H,1-5H3
InChIKey UEQBNAHIBZOBBC-UHFFFAOYSA-N
Mol Weight 411.48 g/mol
Molecular Formula C21H21N3O4S
Exact Mass 411.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 388KazQoSeC
Name methyl 3-{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}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/C21H21N3O4S/c1-12-9-15(11-17-18(25)22(3)21(29)23(4)19(17)26)13(2)24(12)16-8-6-7-14(10-16)20(27)28-5/h6-11H,1-5H3
InChIKey UEQBNAHIBZOBBC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22843
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: D35887; Labnumber: SPDEM4-17425; SBI_ID: SBI-022847
Temperature 318 °C