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3-amino-N-(4-fluorophenyl)-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
SpectraBase Compound ID HVGeuh8Yfsr
InChI InChI=1S/C21H19F4N3OS/c22-11-7-9-12(10-8-11)27-19(29)18-17(26)15-16(21(23,24)25)13-5-3-1-2-4-6-14(13)28-20(15)30-18/h7-10H,1-6,26H2,(H,27,29)
InChIKey XYPYVZHEJDFEQU-UHFFFAOYSA-N
Mol Weight 437.46 g/mol
Molecular Formula C21H19F4N3OS
Exact Mass 437.118496 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IYn0dLaFkbY
Name 3-amino-N-(4-fluorophenyl)-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[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/C21H19F4N3OS/c22-11-7-9-12(10-8-11)27-19(29)18-17(26)15-16(21(23,24)25)13-5-3-1-2-4-6-14(13)28-20(15)30-18/h7-10H,1-6,26H2,(H,27,29)
InChIKey XYPYVZHEJDFEQU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25688
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: D60562; Labnumber: SHES3-0366; SBI_ID: SBI-025692
Temperature 308 °C