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2-chloro-5-{3-[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
SpectraBase Compound ID 18IIuwN1u0c
InChI InChI=1S/C30H22ClN3O4S/c1-18-15-20(19(2)32(18)23-13-14-26(31)24(17-23)29(37)38)16-25-27(35)33(21-9-5-3-6-10-21)30(39)34(28(25)36)22-11-7-4-8-12-22/h3-17H,1-2H3,(H,37,38)
InChIKey FKQCDBCHUQGHQM-UHFFFAOYSA-N
Mol Weight 556.04 g/mol
Molecular Formula C30H22ClN3O4S
Exact Mass 555.101955 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kgnm0UVIvlq
Name 2-chloro-5-{3-[(4,6-dioxo-1,3-diphenyl-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/C30H22ClN3O4S/c1-18-15-20(19(2)32(18)23-13-14-26(31)24(17-23)29(37)38)16-25-27(35)33(21-9-5-3-6-10-21)30(39)34(28(25)36)22-11-7-4-8-12-22/h3-17H,1-2H3,(H,37,38)
InChIKey FKQCDBCHUQGHQM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11593
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: 1003466; UBI_ID: UBI-011596
Temperature 308 °C