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4-bromo-2-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)phenol
SpectraBase Compound ID HLyr7hzpbqK
InChI InChI=1S/C16H19BrN4O5/c1-14(2)15(20(23)24)6-18-8-16(14,21(25)26)9-19(7-15)13(18)11-5-10(17)3-4-12(11)22/h3-5,13,22H,6-9H2,1-2H3/t13-,15-,16+
InChIKey DTEOSRPGVAAEBK-MKZZRHPPSA-N
Mol Weight 427.26 g/mol
Molecular Formula C16H19BrN4O5
Exact Mass 426.053883 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DuDuu7uYsLE
Name 4-bromo-2-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)phenol
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/C16H19BrN4O5/c1-14(2)15(20(23)24)6-18-8-16(14,21(25)26)9-19(7-15)13(18)11-5-10(17)3-4-12(11)22/h3-5,13,22H,6-9H2,1-2H3/t13-,15-,16+
InChIKey DTEOSRPGVAAEBK-MKZZRHPPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12495
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: 100185; Labnumber: BAD7-773; VK_ID: VK-012500
Temperature 315 °C