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1-{4-[2-(benzhydryloxy)ethoxy]-4-methyl-2-hexynyl}piperidinium chloride
SpectraBase Compound ID I5BO9lM5ooE
InChI InChI=1S/C27H35NO2.ClH/c1-3-27(2,18-13-21-28-19-11-6-12-20-28)30-23-22-29-26(24-14-7-4-8-15-24)25-16-9-5-10-17-25;/h4-5,7-10,14-17,26H,3,6,11-12,19-23H2,1-2H3;1H
InChIKey SAVVCSFJHNLFTG-UHFFFAOYSA-N
Mol Weight 442.0 g/mol
Molecular Formula C27H36ClNO2
Exact Mass 441.243457 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JgIyCrEy7Sl
Name 1-{4-[2-(benzhydryloxy)ethoxy]-4-methyl-2-hexynyl}piperidinium 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/C27H35NO2.ClH/c1-3-27(2,18-13-21-28-19-11-6-12-20-28)30-23-22-29-26(24-14-7-4-8-15-24)25-16-9-5-10-17-25;/h4-5,7-10,14-17,26H,3,6,11-12,19-23H2,1-2H3;1H
InChIKey SAVVCSFJHNLFTG-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2499
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: D03554; Labnumber: LVMAT-0097; SBI_ID: SBI-002501
Temperature 308 °C