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N-(2,5-dimethylphenyl)-7-hexahydro-1H-azepin-1-yl-4-nitro-2,1,3-benzoxadiazol-5-amine

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N-(2,5-dimethylphenyl)-7-hexahydro-1H-azepin-1-yl-4-nitro-2,1,3-benzoxadiazol-5-amine
SpectraBase Compound ID 1vKSanHZ6Ab
InChI InChI=1S/C20H23N5O3/c1-13-7-8-14(2)15(11-13)21-16-12-17(24-9-5-3-4-6-10-24)18-19(23-28-22-18)20(16)25(26)27/h7-8,11-12,21H,3-6,9-10H2,1-2H3
InChIKey ZCMMBWLOSKGGBH-UHFFFAOYSA-N
Mol Weight 381.44 g/mol
Molecular Formula C20H23N5O3
Exact Mass 381.18009 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BLQakJp9dbn
Name N-(2,5-dimethylphenyl)-7-hexahydro-1H-azepin-1-yl-4-nitro-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/C20H23N5O3/c1-13-7-8-14(2)15(11-13)21-16-12-17(24-9-5-3-4-6-10-24)18-19(23-28-22-18)20(16)25(26)27/h7-8,11-12,21H,3-6,9-10H2,1-2H3
InChIKey ZCMMBWLOSKGGBH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_14153
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: 200983; Labnumber: TKL2-184; VK_ID: VK-014158
Synonyms N-(2,5-dimethylphenyl)-N-(7-hexahydro-1H-azepin-1-yl-4-nitro-2,1,3-benzoxadiazol-5-yl)amine
Temperature 315 °C