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N-[(E)-(5-tert-butoxy-7-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)methyleneamino]-2,4-dinitro-aniline
SpectraBase Compound ID 7TOrVHYBe5f
InChI InChI=1S/C22H22N4O5/c1-22(2,3)31-21-9-5-7-15-6-4-8-16(18(21)12-15)14-23-24-19-11-10-17(25(27)28)13-20(19)26(29)30/h4-11,13-14,24H,12H2,1-3H3/b23-14+
InChIKey XOQOJFIEECVHAP-OEAKJJBVSA-N
Mol Weight 422.44 g/mol
Molecular Formula C22H22N4O5
Exact Mass 422.15902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QBv8gcRoQy
Name N-[(E)-(5-tert-butoxy-7-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)methyleneamino]-2,4-dinitro-aniline
CAS Registry Number 97991-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N4O5
InChI InChI=1S/C22H22N4O5/c1-22(2,3)31-21-9-5-7-15-6-4-8-16(18(21)12-15)14-23-24-19-11-10-17(25(27)28)13-20(19)26(29)30/h4-11,13-14,24H,12H2,1-3H3/b23-14+
InChIKey XOQOJFIEECVHAP-OEAKJJBVSA-N
Molecular Weight 422.441 g/mol
SMILES N(\N=C\C1=C2C(OC(C)(C)C)=CC=CC(C2)=CC=C1)c1c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-0f89-0902000000-e4535614407749dc48dd
Source of Spectrum H-68-261-7
Synonyms N-[(E)-[5-[(2-methylpropan-2-yl)oxy]-7-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl]methylideneamino]-2,4-dinitro-aniline [(E)-(5-tert-butoxy-7-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)methyleneamino]-(2,4-dinitrophenyl)amine
Wiley ID 1378540