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ethanone, 2-[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]-1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-
SpectraBase Compound ID 4qASRMMvsxN
InChI InChI=1S/C25H22F3N3OS2/c1-13-10-19(14(2)31(13)17-7-4-6-16(11-17)25(26,27)28)20(32)12-33-23-22-18-8-5-9-21(18)34-24(22)30-15(3)29-23/h4,6-7,10-11H,5,8-9,12H2,1-3H3
InChIKey RBRRCAOZICRZAR-UHFFFAOYSA-N
Mol Weight 501.59 g/mol
Molecular Formula C25H22F3N3OS2
Exact Mass 501.115639 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 53Gm50AAVlB
Name ethanone, 2-[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]-1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-
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/C25H22F3N3OS2/c1-13-10-19(14(2)31(13)17-7-4-6-16(11-17)25(26,27)28)20(32)12-33-23-22-18-8-5-9-21(18)34-24(22)30-15(3)29-23/h4,6-7,10-11H,5,8-9,12H2,1-3H3
InChIKey RBRRCAOZICRZAR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_748
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/11228427