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3-amino-N-(2,4-difluorophenyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

View entire compound with spectra: 1 NMR

3-amino-N-(2,4-difluorophenyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
SpectraBase Compound ID 9Q6qvxnBTTv
InChI InChI=1S/C20H16F5N3OS/c21-9-6-7-13(11(22)8-9)27-18(29)17-16(26)14-15(20(23,24)25)10-4-2-1-3-5-12(10)28-19(14)30-17/h6-8H,1-5,26H2,(H,27,29)
InChIKey UOCZDHVXTAUXTI-UHFFFAOYSA-N
Mol Weight 441.42 g/mol
Molecular Formula C20H16F5N3OS
Exact Mass 441.093424 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1MmlaJjObRE
Name 3-amino-N-(2,4-difluorophenyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[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/C20H16F5N3OS/c21-9-6-7-13(11(22)8-9)27-18(29)17-16(26)14-15(20(23,24)25)10-4-2-1-3-5-12(10)28-19(14)30-17/h6-8H,1-5,26H2,(H,27,29)
InChIKey UOCZDHVXTAUXTI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25664
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: D60536; Labnumber: SHES3-0325; SBI_ID: SBI-025668
Temperature 308 °C