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[4-(5-acetyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-2-chloro-6-methoxyphenoxy]acetic acid
SpectraBase Compound ID GfwBSRZUBku
InChI InChI=1S/C21H19ClN2O5S/c1-11(25)17-18(12-6-4-3-5-7-12)23-21(30)24-19(17)13-8-14(22)20(15(9-13)28-2)29-10-16(26)27/h3-9,19H,10H2,1-2H3,(H,26,27)(H2,23,24,30)
InChIKey DFZNAXDDLAEYDI-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 9NwhLc7Lhwf
Name [4-(5-acetyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-2-chloro-6-methoxyphenoxy]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/C21H19ClN2O5S/c1-11(25)17-18(12-6-4-3-5-7-12)23-21(30)24-19(17)13-8-14(22)20(15(9-13)28-2)29-10-16(26)27/h3-9,19H,10H2,1-2H3,(H,26,27)(H2,23,24,30)
InChIKey DFZNAXDDLAEYDI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34805
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: 9414977; SBI_ID: SBI-034809
Temperature 318 °C