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

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3-amino-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
SpectraBase Compound ID GQdioDEdthx
InChI InChI=1S/C20H16ClF4N3OS/c21-11-8-9(6-7-12(11)22)27-18(29)17-16(26)14-15(20(23,24)25)10-4-2-1-3-5-13(10)28-19(14)30-17/h6-8H,1-5,26H2,(H,27,29)
InChIKey VBBVWUVKLBWKJH-UHFFFAOYSA-N
Mol Weight 457.87 g/mol
Molecular Formula C20H16ClF4N3OS
Exact Mass 457.063874 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7RKsZH1iEIb
Name 3-amino-N-(3-chloro-4-fluorophenyl)-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/C20H16ClF4N3OS/c21-11-8-9(6-7-12(11)22)27-18(29)17-16(26)14-15(20(23,24)25)10-4-2-1-3-5-13(10)28-19(14)30-17/h6-8H,1-5,26H2,(H,27,29)
InChIKey VBBVWUVKLBWKJH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25668
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: D60540; Labnumber: SHES3-0334; SBI_ID: SBI-025672
Temperature 308 °C