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1H-azepinium, 1-[3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl]hexahydro-, chloride
SpectraBase Compound ID 9MAuMACmpDv
InChI InChI=1S/C16H23BrN2O.ClH/c1-13-12-14(6-7-15(13)17)18-16(20)8-11-19-9-4-2-3-5-10-19;/h6-7,12H,2-5,8-11H2,1H3,(H,18,20);1H
InChIKey SJCHNDQMSLUOAE-UHFFFAOYSA-N
Mol Weight 375.74 g/mol
Molecular Formula C16H24BrClN2O
Exact Mass 374.076054 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9hhnszf9g3W
Name 1H-azepinium, 1-[3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl]hexahydro-, 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/C16H23BrN2O.ClH/c1-13-12-14(6-7-15(13)17)18-16(20)8-11-19-9-4-2-3-5-10-19;/h6-7,12H,2-5,8-11H2,1H3,(H,18,20);1H
InChIKey SJCHNDQMSLUOAE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2688
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/11248145