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1H-azepinium, hexahydro-1-(2-hydroxy-3-phenoxypropyl)-1-methyl-,iodide

View entire compound with spectra: 1 NMR

1H-azepinium, hexahydro-1-(2-hydroxy-3-phenoxypropyl)-1-methyl-,iodide
SpectraBase Compound ID 3WJIsPwBclG
InChI InChI=1S/C16H26NO2.HI/c1-17(11-7-2-3-8-12-17)13-15(18)14-19-16-9-5-4-6-10-16;/h4-6,9-10,15,18H,2-3,7-8,11-14H2,1H3;1H/q+1;/p-1
InChIKey CMHOIILQEXJYOG-UHFFFAOYSA-M
Mol Weight 391.29 g/mol
Molecular Formula C16H26INO2
Exact Mass 391.100824 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9lpsDxmkoXv
Name 1H-azepinium, hexahydro-1-(2-hydroxy-3-phenoxypropyl)-1-methyl-,iodide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.100824079 u
Formula C16H26INO2
InChI InChI=1S/C16H26NO2.HI/c1-17(11-7-2-3-8-12-17)13-15(18)14-19-16-9-5-4-6-10-16;/h4-6,9-10,15,18H,2-3,7-8,11-14H2,1H3;1H/q+1;/p-1
InChIKey CMHOIILQEXJYOG-UHFFFAOYSA-M
Molecular Weight 391.293 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_742
Solvent DMSO-d6
Source Vendor ID: NMR/13228933