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2-(3-nitrorobenzoyloxy)-5-(4-nitrophenylazo)-1,6-methano[10]annulene
SpectraBase Compound ID GQiYEXwVMgA
InChI InChI=1S/C24H16N4O6/c29-24(18-6-3-7-21(15-18)28(32)33)34-23-13-12-22(16-4-1-2-5-17(23)14-16)26-25-19-8-10-20(11-9-19)27(30)31/h1-13,15H,14H2/b26-25+
InChIKey FXOOXUKMWAVSPI-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 CozCMej8Pxt
Name 2-(3-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 3-nitrobenzoate
CAS Registry Number 129216-83-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16N4O6
InChI InChI=1S/C24H16N4O6/c29-24(18-6-3-7-21(15-18)28(32)33)34-23-13-12-22(16-4-1-2-5-17(23)14-16)26-25-19-8-10-20(11-9-19)27(30)31/h1-13,15H,14H2/b26-25+
InChIKey FXOOXUKMWAVSPI-OCEACIFDSA-N
Molecular Weight 456.414 g/mol
SMILES c1(N(=O)=O)cc(C(OC=2C=3CC(=CC=CC3)C(=CC2)\N=N\c2ccc(N(=O)=O)cc2)=O)ccc1
SPLASH splash10-0zfr-1914300000-171c0c7d618dffe03a82
Source of Spectrum K-124-539-3
Wiley ID 1389233