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ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]-5-pyrimidinecarboxylate
SpectraBase Compound ID 9ARFbRLtORq
InChI InChI=1S/C14H14N4O4S/c1-2-22-13(19)11-7-16-14(17-12(11)15)23-8-9-4-3-5-10(6-9)18(20)21/h3-7H,2,8H2,1H3,(H2,15,16,17)
InChIKey SIVSCHNCYOFLLS-UHFFFAOYSA-N
Mol Weight 334.35 g/mol
Molecular Formula C14H14N4O4S
Exact Mass 334.073576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1QRdY04xsnB
Name ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]-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/C14H14N4O4S/c1-2-22-13(19)11-7-16-14(17-12(11)15)23-8-9-4-3-5-10(6-9)18(20)21/h3-7H,2,8H2,1H3,(H2,15,16,17)
InChIKey SIVSCHNCYOFLLS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24724
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: D48707; Labnumber: VGU-30436; SBI_ID: SBI-024728
Temperature 308 °C