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4,12-Diisocyanato[2.2]paracyclophane
SpectraBase Compound ID KwzJ8BMEZmj
InChI InChI=1S/C18H14N2O2/c21-11-19-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)20-12-22/h1-2,5-6,9-10H,3-4,7-8H2
InChIKey PTELFERTAAVIDO-UHFFFAOYSA-N
Mol Weight 290.32 g/mol
Molecular Formula C18H14N2O2
Exact Mass 290.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dJYiaZbQbA
Name 4,16-Diisocyanato[2.2]paracyclophane
Appearance Colorless plates
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Formula C18H14N2O2
InChI InChI=1S/C18H14N2O2/c21-11-19-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)20-12-22/h1-2,5-6,9-10H,3-4,7-8H2
InChIKey PTELFERTAAVIDO-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.50
Molecular Weight 290.322 g/mol
Reported Formula C18H14N2O2
SMILES c12c(cc(cc2)CCc2ccc(CC1)cc2N=C=O)N=C=O
SPLASH splash10-0005-5930000000-c91876b646df4b5298b1
Source of Spectrum BJO-11-SM16-28
Wiley ID 1851691