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1H-1,4-diazepine-1-carbothioamide, hexahydro-N-[3-(4-morpholinyl)propyl]-4-[2-(4-pyridinyl)ethyl]-
SpectraBase Compound ID 7WxzpslpN53
InChI InChI=1S/C20H33N5OS/c27-20(22-6-1-9-24-15-17-26-18-16-24)25-11-2-10-23(13-14-25)12-5-19-3-7-21-8-4-19/h3-4,7-8H,1-2,5-6,9-18H2,(H,22,27)
InChIKey AEOHZIVAICHHHL-UHFFFAOYSA-N
Mol Weight 391.6 g/mol
Molecular Formula C20H33N5OS
Exact Mass 391.240582 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4wFlucQi94p
Name 1H-1,4-diazepine-1-carbothioamide, hexahydro-N-[3-(4-morpholinyl)propyl]-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/C20H33N5OS/c27-20(22-6-1-9-24-15-17-26-18-16-24)25-11-2-10-23(13-14-25)12-5-19-3-7-21-8-4-19/h3-4,7-8H,1-2,5-6,9-18H2,(H,22,27)
InChIKey AEOHZIVAICHHHL-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10712
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: F38243; Labnumber: NNA-V-25285
Temperature 315 °C