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thieno[3,2-d]pyrimidin-4(3H)-one, 2-[[(2-chloro-6-fluorophenyl)methyl]thio]-3-(3,4-dimethylphenyl)-
SpectraBase Compound ID G1ojOgrJtu2
InChI InChI=1S/C21H16ClFN2OS2/c1-12-6-7-14(10-13(12)2)25-20(26)19-18(8-9-27-19)24-21(25)28-11-15-16(22)4-3-5-17(15)23/h3-10H,11H2,1-2H3
InChIKey YPTLPDDOGICFBK-UHFFFAOYSA-N
Mol Weight 430.94 g/mol
Molecular Formula C21H16ClFN2OS2
Exact Mass 430.037661 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HF9GAMbXVV6
Name thieno[3,2-d]pyrimidin-4(3H)-one, 2-[[(2-chloro-6-fluorophenyl)methyl]thio]-3-(3,4-dimethylphenyl)-
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/C21H16ClFN2OS2/c1-12-6-7-14(10-13(12)2)25-20(26)19-18(8-9-27-19)24-21(25)28-11-15-16(22)4-3-5-17(15)23/h3-10H,11H2,1-2H3
InChIKey YPTLPDDOGICFBK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5658
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/11288427