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3-{[(3-methylphenoxy)acetyl]oxy}-1-azoniabicyclo[2.2.2]octane chloride
SpectraBase Compound ID 8WbFHdlFXMS
InChI InChI=1S/C16H21NO3.ClH/c1-12-3-2-4-14(9-12)19-11-16(18)20-15-10-17-7-5-13(15)6-8-17;/h2-4,9,13,15H,5-8,10-11H2,1H3;1H
InChIKey NXFSTZBZTQXBQR-UHFFFAOYSA-N
Mol Weight 311.81 g/mol
Molecular Formula C16H22ClNO3
Exact Mass 311.128821 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FEio3o4Vrck
Name 3-{[(3-methylphenoxy)acetyl]oxy}-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/C16H21NO3.ClH/c1-12-3-2-4-14(9-12)19-11-16(18)20-15-10-17-7-5-13(15)6-8-17;/h2-4,9,13,15H,5-8,10-11H2,1H3;1H
InChIKey NXFSTZBZTQXBQR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_128
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: C26139; Labnumber: BAL3-1340; SBI_ID: SBI-000130
Temperature 315 °C