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7-(1',2',3',4',5',6',7'-Heptaphenyl)-1,3,5-cycloheptatrienyl-isoselenocyanate
SpectraBase Compound ID BlvI0u9YnJe
InChI InChI=1S/C50H35NSe/c52-36-51-50(43-34-20-7-21-35-43)48(41-30-16-5-17-31-41)46(39-26-12-3-13-27-39)44(37-22-8-1-9-23-37)45(38-24-10-2-11-25-38)47(40-28-14-4-15-29-40)49(50)42-32-18-6-19-33-42/h1-35H
InChIKey RAFBDVFJCAKQIX-UHFFFAOYSA-N
Mol Weight 728.8 g/mol
Molecular Formula C50H35NSe
Exact Mass 729.193472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ELjYzhb6YM
Name 7-(1',2',3',4',5',6',7'-Heptaphenyl)-1,3,5-cycloheptatrienyl-isoselenocyanate
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Formula C50H35NSe
InChI InChI=1S/C50H35NSe/c52-36-51-50(43-34-20-7-21-35-43)48(41-30-16-5-17-31-41)46(39-26-12-3-13-27-39)44(37-22-8-1-9-23-37)45(38-24-10-2-11-25-38)47(40-28-14-4-15-29-40)49(50)42-32-18-6-19-33-42/h1-35H
InChIKey RAFBDVFJCAKQIX-UHFFFAOYSA-N
Molecular Weight 728.809 g/mol
SMILES C1(C(=C(C(c2ccccc2)=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(N=C=[Se])c1ccccc1
SPLASH splash10-00r2-3005089000-81efbff4d3315c06018c
Source of Spectrum MN-1999-222-3
Synonyms 7-isoselenocyanato-1,2,3,4,5,6,7-heptaphenyl-1,3,5-cycloheptatriene
Wiley ID 1546390