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3-[bis(5-chloro-2-thienyl)(hydroxy)methyl]-1-azoniabicyclo[2.2.2]octane chloride
SpectraBase Compound ID 9XBntRA6e29
InChI InChI=1S/C16H17Cl2NOS2.ClH/c17-14-3-1-12(21-14)16(20,13-2-4-15(18)22-13)11-9-19-7-5-10(11)6-8-19;/h1-4,10-11,20H,5-9H2;1H
InChIKey DTBAVOCVPFPHSU-UHFFFAOYSA-N
Mol Weight 410.81 g/mol
Molecular Formula C16H18Cl3NOS2
Exact Mass 408.98954 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KKW4KCxP0qZ
Name 3-[bis(5-chloro-2-thienyl)(hydroxy)methyl]-1-azoniabicyclo[2.2.2]octane chloride
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/C16H17Cl2NOS2.ClH/c17-14-3-1-12(21-14)16(20,13-2-4-15(18)22-13)11-9-19-7-5-10(11)6-8-19;/h1-4,10-11,20H,5-9H2;1H
InChIKey DTBAVOCVPFPHSU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7254
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: 127533; Labnumber: KRAV-0589; VK_ID: VK-007258
Temperature 318 °C