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2-(4-nitrorobenzoyloxy)-5-(4-nitrophenylazo)-1,6-methano[10]annulene

View entire compound with spectra: 1 MS (GC)

2-(4-nitrorobenzoyloxy)-5-(4-nitrophenylazo)-1,6-methano[10]annulene
SpectraBase Compound ID 8iyH7Oqlis8
InChI InChI=1S/C24H16N4O6/c29-24(16-5-9-20(10-6-16)27(30)31)34-23-14-13-22(17-3-1-2-4-18(23)15-17)26-25-19-7-11-21(12-8-19)28(32)33/h1-14H,15H2/b26-25+
InChIKey HXQMKRXHKZXENB-OCEACIFDSA-N
Mol Weight 456.41 g/mol
Molecular Formula C24H16N4O6
Exact Mass 456.106984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcthOrcPV1Y
Name 2-(4-nitrorobenzoyloxy)-5-(4-nitrophenylazo)-1,6-methano[10]annulene
Alternate Name(s) 5-[(E)-2-(4-nitrophenyl)diazenyl]bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-yl 4-nitrobenzoate
CAS Registry Number 129216-84-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16N4O6
InChI InChI=1S/C24H16N4O6/c29-24(16-5-9-20(10-6-16)27(30)31)34-23-14-13-22(17-3-1-2-4-18(23)15-17)26-25-19-7-11-21(12-8-19)28(32)33/h1-14H,15H2/b26-25+
InChIKey HXQMKRXHKZXENB-OCEACIFDSA-N
Molecular Weight 456.414 g/mol
SMILES c1(N(=O)=O)ccc(\N=N\C=2C=3CC(=CC=CC3)C(=CC2)OC(c2ccc(N(=O)=O)cc2)=O)cc1
SPLASH splash10-0udi-1901000000-20daa524d6e66d8b8cf8
Source of Spectrum K-124-540-3
Wiley ID 1389234