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2-(biphenylcarbonyloxy)-5-(4-nitrophenylazo)-1,6-methano[10]annulene
SpectraBase Compound ID 8aWVeb4LhMK
InChI InChI=1S/C30H21N3O4/c34-30(27-13-7-6-12-26(27)21-8-2-1-3-9-21)37-29-19-18-28(22-10-4-5-11-23(29)20-22)32-31-24-14-16-25(17-15-24)33(35)36/h1-19H,20H2/b32-31+
InChIKey OSOQMZLACPVGSW-QNEJGDQOSA-N
Mol Weight 487.52 g/mol
Molecular Formula C30H21N3O4
Exact Mass 487.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NeN3edhfat
Name 2-(biphenylcarbonyloxy)-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[1,1'-biphenyl]-2-carboxylate
CAS Registry Number 129216-79-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H21N3O4
InChI InChI=1S/C30H21N3O4/c34-30(27-13-7-6-12-26(27)21-8-2-1-3-9-21)37-29-19-18-28(22-10-4-5-11-23(29)20-22)32-31-24-14-16-25(17-15-24)33(35)36/h1-19H,20H2/b32-31+
InChIKey OSOQMZLACPVGSW-QNEJGDQOSA-N
Molecular Weight 487.515 g/mol
SMILES c1(N(=O)=O)ccc(\N=N\C=2C=3CC(=CC=CC3)C(=CC2)OC(c2c(-c3ccccc3)cccc2)=O)cc1
SPLASH splash10-003r-3900000000-a07f17d23a5465a79375
Source of Spectrum K-124-539-3
Wiley ID 1396727