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N-butyl-N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1-butanaminium chloride

View entire compound with spectra: 1 NMR

N-butyl-N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1-butanaminium chloride
SpectraBase Compound ID 2rnwtNjhQp9
InChI InChI=1S/C18H29NO2.ClH/c1-3-5-11-19(12-6-4-2)13-18-20-14-16-9-7-8-10-17(16)15-21-18;/h7-10,18H,3-6,11-15H2,1-2H3;1H
InChIKey KEAGXCRKOUMCEI-UHFFFAOYSA-N
Mol Weight 327.9 g/mol
Molecular Formula C18H30ClNO2
Exact Mass 327.196507 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1N29S2Ss1h6
Name N-butyl-N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1-butanaminium 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/C18H29NO2.ClH/c1-3-5-11-19(12-6-4-2)13-18-20-14-16-9-7-8-10-17(16)15-21-18;/h7-10,18H,3-6,11-15H2,1-2H3;1H
InChIKey KEAGXCRKOUMCEI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1594
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: NMR/9235024; Labnumber: ART-LR00811