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N-(3-bromo-4-methylphenyl)-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazol-5-amine
SpectraBase Compound ID JMPKLW2DeiO
InChI InChI=1S/C18H18BrN5O3/c1-11-5-6-12(9-13(11)19)20-14-10-15(23-7-3-2-4-8-23)16-17(22-27-21-16)18(14)24(25)26/h5-6,9-10,20H,2-4,7-8H2,1H3
InChIKey NJTNAVMRFPFUFO-UHFFFAOYSA-N
Mol Weight 432.28 g/mol
Molecular Formula C18H18BrN5O3
Exact Mass 431.059302 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E7hYR2cFLV
Name N-(3-bromo-4-methylphenyl)-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazol-5-amine
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/C18H18BrN5O3/c1-11-5-6-12(9-13(11)19)20-14-10-15(23-7-3-2-4-8-23)16-17(22-27-21-16)18(14)24(25)26/h5-6,9-10,20H,2-4,7-8H2,1H3
InChIKey NJTNAVMRFPFUFO-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13316
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: 102397; Labnumber: TKL2-213; VK_ID: VK-013321
Synonyms N-(3-bromo-4-methylphenyl)-N-[4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazol-5-yl]amine
Temperature 315 °C