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[2-(5-acetyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-4-chloro-6-methoxyphenoxy]acetic acid

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[2-(5-acetyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-4-chloro-6-methoxyphenoxy]acetic acid
SpectraBase Compound ID FKggOkKubil
InChI InChI=1S/C21H19ClN2O5S/c1-11(25)17-18(12-6-4-3-5-7-12)23-21(30)24-19(17)14-8-13(22)9-15(28-2)20(14)29-10-16(26)27/h3-9,19H,10H2,1-2H3,(H,26,27)(H2,23,24,30)
InChIKey JRYIFVNVIPKLIE-UHFFFAOYSA-N
Mol Weight 446.91 g/mol
Molecular Formula C21H19ClN2O5S
Exact Mass 446.070321 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9aZzo8riSPy
Name [2-(5-acetyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-4-chloro-6-methoxyphenoxy]acetic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H19ClN2O5S/c1-11(25)17-18(12-6-4-3-5-7-12)23-21(30)24-19(17)14-8-13(22)9-15(28-2)20(14)29-10-16(26)27/h3-9,19H,10H2,1-2H3,(H,26,27)(H2,23,24,30)
InChIKey JRYIFVNVIPKLIE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29741
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: 1141372; SBI_ID: SBI-029745
Temperature 315 °C