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1H-1,4-diazepine-1-carbothioamide, hexahydro-4-[2-(4-pyridinyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID KX4ystMV1QX
InChI InChI=1S/C20H23F3N4S/c21-20(22,23)17-2-4-18(5-3-17)25-19(28)27-12-1-11-26(14-15-27)13-8-16-6-9-24-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,25,28)
InChIKey PJVDEBRGYYBKLJ-UHFFFAOYSA-N
Mol Weight 408.49 g/mol
Molecular Formula C20H23F3N4S
Exact Mass 408.159552 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LSnGtM1llYC
Name 1H-1,4-diazepine-1-carbothioamide, hexahydro-4-[2-(4-pyridinyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-
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/C20H23F3N4S/c21-20(22,23)17-2-4-18(5-3-17)25-19(28)27-12-1-11-26(14-15-27)13-8-16-6-9-24-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,25,28)
InChIKey PJVDEBRGYYBKLJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_8181
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: F31722; Labnumber: NNA-V-18005