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2,6-ditert-butyl-4-(5-dimethylamino-2,4,6-trinitro-1-cyclohexa-2,4-dienyl)phenol
SpectraBase Compound ID BfgVX9ls5CT
InChI InChI=1S/C22H30N4O7/c1-21(2,3)13-9-12(10-14(20(13)27)22(4,5)6)17-15(24(28)29)11-16(25(30)31)18(23(7)8)19(17)26(32)33/h9-11,17,19,27H,1-8H3
InChIKey IFBZEAMEPMRJEL-UHFFFAOYSA-N
Mol Weight 462.5 g/mol
Molecular Formula C22H30N4O7
Exact Mass 462.211449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LKEITrFYIIf
Name 2,6-ditert-butyl-4-(5-dimethylamino-2,4,6-trinitro-1-cyclohexa-2,4-dienyl)phenol
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30N4O7
InChI InChI=1S/C22H30N4O7/c1-21(2,3)13-9-12(10-14(20(13)27)22(4,5)6)17-15(24(28)29)11-16(25(30)31)18(23(7)8)19(17)26(32)33/h9-11,17,19,27H,1-8H3
InChIKey IFBZEAMEPMRJEL-UHFFFAOYSA-N
Literature Reference Author R.A.MANDERVILLE,E.BUNCEL
Literature Reference Citation J.ORG.CHEM.,62,7614(1997)
Literature Reference DOI 10.1021/jo9707500
Molecular Weight 462.503 g/mol
Solvent DMSO-D6
Source File Reference UWMZ4232