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(4-chloro-2-{5-[(3,4-dimethylanilino)carbonyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl}phenoxy)acetic acid
SpectraBase Compound ID EecZTbL35rH
InChI InChI=1S/C22H22ClN3O4S/c1-11-4-6-15(8-12(11)2)25-21(29)19-13(3)24-22(31)26-20(19)16-9-14(23)5-7-17(16)30-10-18(27)28/h4-9,20H,10H2,1-3H3,(H,25,29)(H,27,28)(H2,24,26,31)
InChIKey FJAABSPVCFJIFI-UHFFFAOYSA-N
Mol Weight 459.95 g/mol
Molecular Formula C22H22ClN3O4S
Exact Mass 459.101955 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HIxwl80eRJt
Name (4-chloro-2-{5-[(3,4-dimethylanilino)carbonyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl}phenoxy)acetic 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/C22H22ClN3O4S/c1-11-4-6-15(8-12(11)2)25-21(29)19-13(3)24-22(31)26-20(19)16-9-14(23)5-7-17(16)30-10-18(27)28/h4-9,20H,10H2,1-3H3,(H,25,29)(H,27,28)(H2,24,26,31)
InChIKey FJAABSPVCFJIFI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31636
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: 1843137; SBI_ID: SBI-031640
Temperature 318 °C