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benzenepropanoic acid, 4-chloro-beta-[[[(E)-(tetrahydro-1-(1-methylethyl)-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]amino]methyl]-

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benzenepropanoic acid, 4-chloro-beta-[[[(E)-(tetrahydro-1-(1-methylethyl)-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]amino]methyl]-
SpectraBase Compound ID 1wzquzIgT34
InChI InChI=1S/C18H20ClN3O4S/c1-10(2)22-17(26)14(16(25)21-18(22)27)9-20-8-12(7-15(23)24)11-3-5-13(19)6-4-11/h3-6,9-10,12,20H,7-8H2,1-2H3,(H,23,24)(H,21,25,27)/b14-9+
InChIKey OKRRHWCKDZTSSQ-NTEUORMPSA-N
Mol Weight 409.89 g/mol
Molecular Formula C18H20ClN3O4S
Exact Mass 409.086305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IfVepSlpaul
Name benzenepropanoic acid, 4-chloro-beta-[[[(E)-(tetrahydro-1-(1-methylethyl)-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]amino]methyl]-
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/C18H20ClN3O4S/c1-10(2)22-17(26)14(16(25)21-18(22)27)9-20-8-12(7-15(23)24)11-3-5-13(19)6-4-11/h3-6,9-10,12,20H,7-8H2,1-2H3,(H,23,24)(H,21,25,27)/b14-9+
InChIKey OKRRHWCKDZTSSQ-NTEUORMPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_206
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: F03261; Labnumber: KV-05-054-1086