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1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-4-methylpyridinium bromide

View entire compound with spectra: 1 NMR

1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-4-methylpyridinium bromide
SpectraBase Compound ID FXnBh5JBnci
InChI InChI=1S/C16H18NO2.BrH/c1-13-6-8-17(9-7-13)10-16-18-11-14-4-2-3-5-15(14)12-19-16;/h2-9,16H,10-12H2,1H3;1H/q+1;/p-1
InChIKey VUOLFXFLGIWJDJ-UHFFFAOYSA-M
Mol Weight 336.23 g/mol
Molecular Formula C16H18BrNO2
Exact Mass 335.052092 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID vx4Fm4UgdK
Name 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-4-methylpyridinium bromide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.052091822 u
Formula C16H18BrNO2
InChI InChI=1S/C16H18NO2.BrH/c1-13-6-8-17(9-7-13)10-16-18-11-14-4-2-3-5-15(14)12-19-16;/h2-9,16H,10-12H2,1H3;1H/q+1;/p-1
InChIKey VUOLFXFLGIWJDJ-UHFFFAOYSA-M
Molecular Weight 336.229 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1802
Solvent DMSO-d6
Source Vendor ID: NMR/12278445