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1H-azepinium, 1-[3-[(3,4-difluorophenyl)amino]-3-oxopropyl]hexahydro-, chloride
SpectraBase Compound ID KYrIbZQlcYJ
InChI InChI=1S/C15H20F2N2O.ClH/c16-13-6-5-12(11-14(13)17)18-15(20)7-10-19-8-3-1-2-4-9-19;/h5-6,11H,1-4,7-10H2,(H,18,20);1H
InChIKey RESNZSJCHVXSEQ-UHFFFAOYSA-N
Mol Weight 318.8 g/mol
Molecular Formula C15H21ClF2N2O
Exact Mass 318.131047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9DwGQNR8eFS
Name 1H-azepinium, 1-[3-[(3,4-difluorophenyl)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/C15H20F2N2O.ClH/c16-13-6-5-12(11-14(13)17)18-15(20)7-10-19-8-3-1-2-4-9-19;/h5-6,11H,1-4,7-10H2,(H,18,20);1H
InChIKey RESNZSJCHVXSEQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2546
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/11238949