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N-[2-(4-bromophenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-aminium
SpectraBase Compound ID KtS0wT90JAo
InChI InChI=1S/C22H25BrN2O2/c1-2-27-20-13-11-19(12-14-20)25(22-6-4-3-5-15-24-22)16-21(26)17-7-9-18(23)10-8-17/h7-14H,2-6,15-16H2,1H3/p+1
InChIKey PKWXCUXEBQZYPX-UHFFFAOYSA-O
Mol Weight 430.37 g/mol
Molecular Formula C22H26BrN2O2
Exact Mass 429.117766 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4t32P4OJ09q
Name N-[2-(4-bromophenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-aminium
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/C22H25BrN2O2/c1-2-27-20-13-11-19(12-14-20)25(22-6-4-3-5-15-24-22)16-21(26)17-7-9-18(23)10-8-17/h7-14H,2-6,15-16H2,1H3/p+1
InChIKey PKWXCUXEBQZYPX-UHFFFAOYSA-O
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6420
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/11252597; Labnumber: 1295; IOH_ID: IOH-006421