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1H-azepinium, 1-[2-(acetyloxy)-2-phenylethyl]hexahydro-1-methyl-,iodide
SpectraBase Compound ID A6HtmUG7CvK
InChI InChI=1S/C17H26NO2.HI/c1-15(19)20-17(16-10-6-5-7-11-16)14-18(2)12-8-3-4-9-13-18;/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3;1H/q+1;/p-1
InChIKey VXIAQHNFKLWSAB-UHFFFAOYSA-M
Mol Weight 403.3 g/mol
Molecular Formula C17H26INO2
Exact Mass 403.100824 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A1UEZn5qY9H
Name 1H-azepinium, 1-[2-(acetyloxy)-2-phenylethyl]hexahydro-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 403.100824079 u
Formula C17H26INO2
InChI InChI=1S/C17H26NO2.HI/c1-15(19)20-17(16-10-6-5-7-11-16)14-18(2)12-8-3-4-9-13-18;/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3;1H/q+1;/p-1
InChIKey VXIAQHNFKLWSAB-UHFFFAOYSA-M
Molecular Weight 403.304 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_743
Solvent DMSO-d6
Source Vendor ID: NMR/13228934