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1H-1,4-diazepine-1-carbothioamide, hexahydro-N-[4-(1-methylethyl)phenyl]-4-[2-(4-pyridinyl)ethyl]-
SpectraBase Compound ID IBoz0VlOJWB
InChI InChI=1S/C22H30N4S/c1-18(2)20-4-6-21(7-5-20)24-22(27)26-14-3-13-25(16-17-26)15-10-19-8-11-23-12-9-19/h4-9,11-12,18H,3,10,13-17H2,1-2H3,(H,24,27)
InChIKey FSNBJBAIGNLKGG-UHFFFAOYSA-N
Mol Weight 382.57 g/mol
Molecular Formula C22H30N4S
Exact Mass 382.219118 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9wBj1aFtzR2
Name 1H-1,4-diazepine-1-carbothioamide, hexahydro-N-[4-(1-methylethyl)phenyl]-4-[2-(4-pyridinyl)ethyl]-
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/C22H30N4S/c1-18(2)20-4-6-21(7-5-20)24-22(27)26-14-3-13-25(16-17-26)15-10-19-8-11-23-12-9-19/h4-9,11-12,18H,3,10,13-17H2,1-2H3,(H,24,27)
InChIKey FSNBJBAIGNLKGG-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9612
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: F36021; Labnumber: NNA-V-17875