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4-hexahydro-1H-azepin-1-yl-3-nitrobenzonitrile

View entire compound with spectra: 1 NMR

4-hexahydro-1H-azepin-1-yl-3-nitrobenzonitrile
SpectraBase Compound ID 6YJ93hJJB2u
InChI InChI=1S/C13H15N3O2/c14-10-11-5-6-12(13(9-11)16(17)18)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2
InChIKey TZCQBTXJIYVHTO-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C13H15N3O2
Exact Mass 245.116427 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 50ptwWbTTOL
Name 4-hexahydro-1H-azepin-1-yl-3-nitrobenzonitrile
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/C13H15N3O2/c14-10-11-5-6-12(13(9-11)16(17)18)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2
InChIKey TZCQBTXJIYVHTO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6761
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: 124166; Labnumber: RYAB-3731; VK_ID: VK-006764
Temperature 318 °C