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thieno[2,3-d]pyrimidine-6-carboxylic acid, 2,5-diamino-4-(methylthio)-, 4-chlorophenyl ester
SpectraBase Compound ID HOHKQ3pagWy
InChI InChI=1S/C14H11ClN4O2S2/c1-22-11-8-9(16)10(23-12(8)19-14(17)18-11)13(20)21-7-4-2-6(15)3-5-7/h2-5H,16H2,1H3,(H2,17,18,19)
InChIKey WDKISLYRIYSEBI-UHFFFAOYSA-N
Mol Weight 366.84 g/mol
Molecular Formula C14H11ClN4O2S2
Exact Mass 366.001196 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AvHXvnBM2wm
Name thieno[2,3-d]pyrimidine-6-carboxylic acid, 2,5-diamino-4-(methylthio)-, 4-chlorophenyl 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/C14H11ClN4O2S2/c1-22-11-8-9(16)10(23-12(8)19-14(17)18-11)13(20)21-7-4-2-6(15)3-5-7/h2-5H,16H2,1H3,(H2,17,18,19)
InChIKey WDKISLYRIYSEBI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_2183
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: F14500; Labnumber: SHEL-2729