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1H-azepine, hexahydro-1-(2,4,6-trinitrophenyl)-

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1H-azepine, hexahydro-1-(2,4,6-trinitrophenyl)-
SpectraBase Compound ID RhPGBsV2V
InChI InChI=1S/C12H14N4O6/c17-14(18)9-7-10(15(19)20)12(11(8-9)16(21)22)13-5-3-1-2-4-6-13/h7-8H,1-6H2
InChIKey RGMJJLJGWUZISJ-UHFFFAOYSA-N
Mol Weight 310.27 g/mol
Molecular Formula C12H14N4O6
Exact Mass 310.091334 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1xCHYNcWmvi
Name 1H-azepine, hexahydro-1-(2,4,6-trinitrophenyl)-
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/C12H14N4O6/c17-14(18)9-7-10(15(19)20)12(11(8-9)16(21)22)13-5-3-1-2-4-6-13/h7-8H,1-6H2
InChIKey RGMJJLJGWUZISJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1454
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: ZI/5101539; Labnumber: BM-65039f; IOH_ID: IOH-008457