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{5-bromo-2-methoxy-4-[6-methyl-2-thioxo-5-(2-toluidinocarbonyl)-1,2,3,4-tetrahydro-4-pyrimidinyl]phenoxy}acetic acid
SpectraBase Compound ID AzkE2WzY263
InChI InChI=1S/C22H22BrN3O5S/c1-11-6-4-5-7-15(11)25-21(29)19-12(2)24-22(32)26-20(19)13-8-16(30-3)17(9-14(13)23)31-10-18(27)28/h4-9,20H,10H2,1-3H3,(H,25,29)(H,27,28)(H2,24,26,32)
InChIKey NQTFUXVPNFFVMH-UHFFFAOYSA-N
Mol Weight 520.4 g/mol
Molecular Formula C22H22BrN3O5S
Exact Mass 519.046355 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EnacpJKgVNo
Name {5-bromo-2-methoxy-4-[6-methyl-2-thioxo-5-(2-toluidinocarbonyl)-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/C22H22BrN3O5S/c1-11-6-4-5-7-15(11)25-21(29)19-12(2)24-22(32)26-20(19)13-8-16(30-3)17(9-14(13)23)31-10-18(27)28/h4-9,20H,10H2,1-3H3,(H,25,29)(H,27,28)(H2,24,26,32)
InChIKey NQTFUXVPNFFVMH-UHFFFAOYSA-N
NMR Offset 17.9105
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31561
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: 1843021; SBI_ID: SBI-031565
Temperature 303 °C