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{4-Bicyclo[4.4.1]undeca-1',3',5',7',9'-pentaen-2'-yl)ethynyl]phenyl}-phenyldiazene
SpectraBase Compound ID KGNiRy1k9IA
InChI InChI=1S/C25H18N2/c1-2-11-24(12-3-1)26-27-25-17-14-20(15-18-25)13-16-22-10-6-8-21-7-4-5-9-23(22)19-21/h1-12,14-15,17-18H,19H2/b27-26+
InChIKey JYRMDVDPOFDPJP-CYYJNZCTSA-N
Mol Weight 346.43 g/mol
Molecular Formula C25H18N2
Exact Mass 346.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bXRA0AnCUn
Name {4-Bicyclo[4.4.1]undeca-1',3',5',7',9'-pentaen-2'-yl)ethynyl]phenyl}-phenyldiazene
Alternate Name(s) (E)-1-{4-[bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ylethynyl]phenyl}-2-phenyldiazene
Comments Less than 3 mono-isotopic peaks
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Formula C25H18N2
InChI InChI=1S/C25H18N2/c1-2-11-24(12-3-1)26-27-25-17-14-20(15-18-25)13-16-22-10-6-8-21-7-4-5-9-23(22)19-21/h1-12,14-15,17-18H,19H2/b27-26+
InChIKey JYRMDVDPOFDPJP-CYYJNZCTSA-N
Molecular Weight 346.433 g/mol
SMILES C(C=1C=2CC(=CC=CC2)C=CC1)#Cc1ccc(\N=N\c2ccccc2)cc1
SPLASH splash10-0005-0059000000-96dec13a3ef266b6f0ed
Source of Spectrum H-80-1646-11
Wiley ID 1339773