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1-(5-chloro-2,4-dinitrophenyl)hexahydro-1H-azepine

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1-(5-chloro-2,4-dinitrophenyl)hexahydro-1H-azepine
SpectraBase Compound ID EcsXo9CmshW
InChI InChI=1S/C12H14ClN3O4/c13-9-7-11(14-5-3-1-2-4-6-14)12(16(19)20)8-10(9)15(17)18/h7-8H,1-6H2
InChIKey WAGTVSNZJBOBOS-UHFFFAOYSA-N
Mol Weight 299.71 g/mol
Molecular Formula C12H14ClN3O4
Exact Mass 299.067284 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DlKiePPaHEM
Name 1-(5-chloro-2,4-dinitrophenyl)hexahydro-1H-azepine
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/C12H14ClN3O4/c13-9-7-11(14-5-3-1-2-4-6-14)12(16(19)20)8-10(9)15(17)18/h7-8H,1-6H2
InChIKey WAGTVSNZJBOBOS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13269
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: 102385; Labnumber: TKL2-078; VK_ID: VK-013274
Temperature 318 °C