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ethanone, 1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-

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ethanone, 1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-
SpectraBase Compound ID 9NcLikofZZ3
InChI InChI=1S/C23H19ClF3N3OS2/c1-11-7-16(13(3)30(11)15-5-6-18(24)17(8-15)23(25,26)27)19(31)9-32-21-20-12(2)14(4)33-22(20)29-10-28-21/h5-8,10H,9H2,1-4H3
InChIKey ZYLGJNVIVLVGRH-UHFFFAOYSA-N
Mol Weight 509.99 g/mol
Molecular Formula C23H19ClF3N3OS2
Exact Mass 509.061017 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J9F0Fv1COly
Name ethanone, 1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-
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/C23H19ClF3N3OS2/c1-11-7-16(13(3)30(11)15-5-6-18(24)17(8-15)23(25,26)27)19(31)9-32-21-20-12(2)14(4)33-22(20)29-10-28-21/h5-8,10H,9H2,1-4H3
InChIKey ZYLGJNVIVLVGRH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_406
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/11228028