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2-(4-Chlorobenzoyloxy)-5-(4-nitrophenylazo)-1,6-methano[10]annulene
SpectraBase Compound ID 9Bd3UGUvv3D
InChI InChI=1S/C24H16ClN3O4/c25-19-7-5-16(6-8-19)24(29)32-23-14-13-22(17-3-1-2-4-18(23)15-17)27-26-20-9-11-21(12-10-20)28(30)31/h1-14H,15H2/b27-26+
InChIKey ZHQCFJKAYDAGNB-CYYJNZCTSA-N
Mol Weight 445.86 g/mol
Molecular Formula C24H16ClN3O4
Exact Mass 445.082934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COSl4EUnTlK
Name 2-(4-Chlorobenzoyloxy)-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-chlorobenzoate
CAS Registry Number 129216-81-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16ClN3O4
InChI InChI=1S/C24H16ClN3O4/c25-19-7-5-16(6-8-19)24(29)32-23-14-13-22(17-3-1-2-4-18(23)15-17)27-26-20-9-11-21(12-10-20)28(30)31/h1-14H,15H2/b27-26+
InChIKey ZHQCFJKAYDAGNB-CYYJNZCTSA-N
Molecular Weight 445.862 g/mol
SMILES c1(N(=O)=O)ccc(\N=N\C=2C=3CC(=CC=CC3)C(=CC2)OC(c2ccc(cc2)Cl)=O)cc1
SPLASH splash10-000i-0900000000-dc922e18126aef7916fb
Source of Spectrum K-124-539-3
Wiley ID 1386357