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acetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]-
SpectraBase Compound ID 6u8Vbv2DAG9
InChI InChI=1S/C18H13ClF3N3OS2/c19-12-5-4-9(6-11(12)18(20,21)22)25-14(26)7-27-16-15-10-2-1-3-13(10)28-17(15)24-8-23-16/h4-6,8H,1-3,7H2,(H,25,26)
InChIKey SAWZZCBNUVAIEU-UHFFFAOYSA-N
Mol Weight 443.89 g/mol
Molecular Formula C18H13ClF3N3OS2
Exact Mass 443.014067 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JL4Z9PRdvGJ
Name acetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[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/C18H13ClF3N3OS2/c19-12-5-4-9(6-11(12)18(20,21)22)25-14(26)7-27-16-15-10-2-1-3-13(10)28-17(15)24-8-23-16/h4-6,8H,1-3,7H2,(H,25,26)
InChIKey SAWZZCBNUVAIEU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_675
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/11228340