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2-chloro-5-{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid

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2-chloro-5-{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
SpectraBase Compound ID AK6zxuSh9TV
InChI InChI=1S/C20H18ClN3O4S/c1-10-7-12(8-15-17(25)22(3)20(29)23(4)18(15)26)11(2)24(10)13-5-6-16(21)14(9-13)19(27)28/h5-9H,1-4H3,(H,27,28)
InChIKey IDDHPNOPPZEKHB-UHFFFAOYSA-N
Mol Weight 431.89 g/mol
Molecular Formula C20H18ClN3O4S
Exact Mass 431.070655 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9DcLlB38tGG
Name 2-chloro-5-{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic 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/C20H18ClN3O4S/c1-10-7-12(8-15-17(25)22(3)20(29)23(4)18(15)26)11(2)24(10)13-5-6-16(21)14(9-13)19(27)28/h5-9H,1-4H3,(H,27,28)
InChIKey IDDHPNOPPZEKHB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11501
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: 1003301; UBI_ID: UBI-011504
Temperature 318 °C