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1H-1,4-diazepine-1-carbothioamide, hexahydro-N-(2-methylphenyl)-4-[2-(4-pyridinyl)ethyl]-
SpectraBase Compound ID CRNAOf7VNPz
InChI InChI=1S/C20H26N4S/c1-17-5-2-3-6-19(17)22-20(25)24-13-4-12-23(15-16-24)14-9-18-7-10-21-11-8-18/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,22,25)
InChIKey RIGMNEKNKQNMNT-UHFFFAOYSA-N
Mol Weight 354.52 g/mol
Molecular Formula C20H26N4S
Exact Mass 354.187818 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4POoP0Oe9S
Name 1H-1,4-diazepine-1-carbothioamide, hexahydro-N-(2-methylphenyl)-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/C20H26N4S/c1-17-5-2-3-6-19(17)22-20(25)24-13-4-12-23(15-16-24)14-9-18-7-10-21-11-8-18/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,22,25)
InChIKey RIGMNEKNKQNMNT-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_8172
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: F31707; Labnumber: NNA-V-17745