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5-chloro-2-{[(2E)-1-methylhexahydro-2H-azepin-2-ylidene]amino}benzonitrile
SpectraBase Compound ID 9o73D5z46M8
InChI InChI=1S/C14H16ClN3/c1-18-8-4-2-3-5-14(18)17-13-7-6-12(15)9-11(13)10-16/h6-7,9H,2-5,8H2,1H3/b17-14+
InChIKey ZDJUUPRZEGBITE-SAPNQHFASA-N
Mol Weight 261.76 g/mol
Molecular Formula C14H16ClN3
Exact Mass 261.103275 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID fRJHk21djB
Name 5-chloro-2-{[(2E)-1-methylhexahydro-2H-azepin-2-ylidene]amino}benzonitrile
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/C14H16ClN3/c1-18-8-4-2-3-5-14(18)17-13-7-6-12(15)9-11(13)10-16/h6-7,9H,2-5,8H2,1H3/b17-14+
InChIKey ZDJUUPRZEGBITE-SAPNQHFASA-N
NMR Offset 13.9821
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_1334
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: ZID/4056631; Labnumber: GN-138; IOH_ID: IOH-001335
Synonyms 5-chloro-2-{[1-methylhexahydro-2H-azepin-2-ylidene]amino}benzonitrile
Temperature 297 °C