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4-chloro-5-hexahydro-1H-azepin-1-ylphthalonitrile

View entire compound with spectra: 1 NMR

4-chloro-5-hexahydro-1H-azepin-1-ylphthalonitrile
SpectraBase Compound ID BVrwGCLhzqn
InChI InChI=1S/C14H14ClN3/c15-13-7-11(9-16)12(10-17)8-14(13)18-5-3-1-2-4-6-18/h7-8H,1-6H2
InChIKey USTHQNWOBJOZAS-UHFFFAOYSA-N
Mol Weight 259.74 g/mol
Molecular Formula C14H14ClN3
Exact Mass 259.087625 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7fmsIDOO6uR
Name 4-chloro-5-hexahydro-1H-azepin-1-ylphthalonitrile
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/C14H14ClN3/c15-13-7-11(9-16)12(10-17)8-14(13)18-5-3-1-2-4-6-18/h7-8H,1-6H2
InChIKey USTHQNWOBJOZAS-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6777
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: 124192; Labnumber: RYAB-5264; VK_ID: VK-006780
Temperature 308 °C