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methyl 2-({[4-(2-ethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl}amino)benzoate
SpectraBase Compound ID 7dYL8Dq4ryu
InChI InChI=1S/C22H23N3O4S/c1-4-29-17-12-8-6-10-15(17)19-18(13(2)23-22(30)25-19)20(26)24-16-11-7-5-9-14(16)21(27)28-3/h5-12,19H,4H2,1-3H3,(H,24,26)(H2,23,25,30)
InChIKey NDGSUSDPURJSSJ-UHFFFAOYSA-N
Mol Weight 425.5 g/mol
Molecular Formula C22H23N3O4S
Exact Mass 425.140927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 36FgueocTFn
Name methyl 2-({[4-(2-ethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl}amino)benzoate
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/C22H23N3O4S/c1-4-29-17-12-8-6-10-15(17)19-18(13(2)23-22(30)25-19)20(26)24-16-11-7-5-9-14(16)21(27)28-3/h5-12,19H,4H2,1-3H3,(H,24,26)(H2,23,25,30)
InChIKey NDGSUSDPURJSSJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31601
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: 1843073; SBI_ID: SBI-031605
Temperature 308 °C