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1,3-benzenedicarboxylic acid, 5-[[[5-chloro-2-(ethylthio)-4-pyrimidinyl]carbonyl]amino]-, dimethyl ester

View entire compound with spectra: 1 NMR

1,3-benzenedicarboxylic acid, 5-[[[5-chloro-2-(ethylthio)-4-pyrimidinyl]carbonyl]amino]-, dimethyl ester
SpectraBase Compound ID 91sN8xbT6xl
InChI InChI=1S/C17H16ClN3O5S/c1-4-27-17-19-8-12(18)13(21-17)14(22)20-11-6-9(15(23)25-2)5-10(7-11)16(24)26-3/h5-8H,4H2,1-3H3,(H,20,22)
InChIKey FHEABWVVLPVBFA-UHFFFAOYSA-N
Mol Weight 409.84 g/mol
Molecular Formula C17H16ClN3O5S
Exact Mass 409.049919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3qZtCq1T1fQ
Name 1,3-benzenedicarboxylic acid, 5-[[[5-chloro-2-(ethylthio)-4-pyrimidinyl]carbonyl]amino]-, dimethyl ester
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/C17H16ClN3O5S/c1-4-27-17-19-8-12(18)13(21-17)14(22)20-11-6-9(15(23)25-2)5-10(7-11)16(24)26-3/h5-8H,4H2,1-3H3,(H,20,22)
InChIKey FHEABWVVLPVBFA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_1650
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: F12074; Labnumber: GOR-S1139-0368