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5-Pyrimidinecarboxylic acid, 1,6-dihydro-2-mercapto-4-methyl-6-(3-nitrophenyl)-, ethyl ester

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5-Pyrimidinecarboxylic acid, 1,6-dihydro-2-mercapto-4-methyl-6-(3-nitrophenyl)-, ethyl ester
SpectraBase Compound ID CPqYE3XxUzX
InChI InChI=1S/C14H15N3O4S/c1-3-21-13(18)11-8(2)15-14(22)16-12(11)9-5-4-6-10(7-9)17(19)20/h4-7,12H,3H2,1-2H3,(H2,15,16,22)
InChIKey TWRZPKOGAMULBM-UHFFFAOYSA-N
Mol Weight 321.35 g/mol
Molecular Formula C14H15N3O4S
Exact Mass 321.078327 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1nsp6kxcEFP
Name ethyl 4-methyl-6-(3-nitrophenyl)-2-sulfanyl-1,6-dihydro-5-pyrimidinecarboxylate
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/C14H15N3O4S/c1-3-21-13(18)11-8(2)15-14(22)16-12(11)9-5-4-6-10(7-9)17(19)20/h4-7,12H,3H2,1-2H3,(H2,15,16,22)
InChIKey TWRZPKOGAMULBM-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16021
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: 987/00003052; Labnumber: 987/00003052218836; VK_ID: VK-016026
Temperature 308 °C