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3-amino-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
SpectraBase Compound ID DTmKgXa74da
InChI InChI=1S/C18H12ClF4N3OS/c19-9-6-7(4-5-10(9)20)25-16(27)15-14(24)12-13(18(21,22)23)8-2-1-3-11(8)26-17(12)28-15/h4-6H,1-3,24H2,(H,25,27)
InChIKey DUOMHHHGKNBNOE-UHFFFAOYSA-N
Mol Weight 429.82 g/mol
Molecular Formula C18H12ClF4N3OS
Exact Mass 429.032574 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2hzaUXXYtD9
Name 3-amino-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
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/C18H12ClF4N3OS/c19-9-6-7(4-5-10(9)20)25-16(27)15-14(24)12-13(18(21,22)23)8-2-1-3-11(8)26-17(12)28-15/h4-6H,1-3,24H2,(H,25,27)
InChIKey DUOMHHHGKNBNOE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25660
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: D60532; Labnumber: SHES3-0313; SBI_ID: SBI-025664
Temperature 308 °C