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1H-azepinium, 1-[(2-chloro-4-cyanophenyl)methyl]hexahydro-, chloride
SpectraBase Compound ID 8SWj8RxZ19y
InChI InChI=1S/C14H17ClN2.ClH/c15-14-9-12(10-16)5-6-13(14)11-17-7-3-1-2-4-8-17;/h5-6,9H,1-4,7-8,11H2;1H
InChIKey YEJWEQSULCPHGD-UHFFFAOYSA-N
Mol Weight 285.22 g/mol
Molecular Formula C14H18Cl2N2
Exact Mass 284.084704 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dfz3tpCxx4m
Name 1H-azepinium, 1-[(2-chloro-4-cyanophenyl)methyl]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/C14H17ClN2.ClH/c15-14-9-12(10-16)5-6-13(14)11-17-7-3-1-2-4-8-17;/h5-6,9H,1-4,7-8,11H2;1H
InChIKey YEJWEQSULCPHGD-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_1760
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/9223093; Labnumber: LP-0502141
Temperature 297 °C