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3-(4-ethylphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydrothiazolo[4,5-d]pyrimidine-5-thiolate
SpectraBase Compound ID LSeqXu8yjw6
InChI InChI=1S/C13H11N3OS3/c1-2-7-3-5-8(6-4-7)16-10-9(20-13(16)19)11(17)15-12(18)14-10/h3-6H,2H2,1H3,(H2,14,15,17,18)/p-1
InChIKey AMIIEVLVAJBSLE-UHFFFAOYSA-M
Mol Weight 320.42 g/mol
Molecular Formula C13H10N3OS3
Exact Mass 319.9986 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Af97oQGlZzf
Name 3-(4-ethylphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydrothiazolo[4,5-d]pyrimidine-5-thiolate
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/C13H11N3OS3/c1-2-7-3-5-8(6-4-7)16-10-9(20-13(16)19)11(17)15-12(18)14-10/h3-6H,2H2,1H3,(H2,14,15,17,18)/p-1
InChIKey AMIIEVLVAJBSLE-UHFFFAOYSA-M
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_31
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: NMR/10328932