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N,N'-Trimethylene-syn-1,6:8,13-diimino[14]annulene
SpectraBase Compound ID EDNadakznnn
InChI InChI=1S/C17H16N2/c1-2-7-15-13-17-9-4-3-8-16-12-14(6-1)18(15)10-5-11-19(16)17/h1-4,6-9,12-13H,5,10-11H2/b14-12-,15-13+,16-12-,17-13+
InChIKey VLNFDNCMUAOUFR-KPLUMIBISA-N
Mol Weight 248.33 g/mol
Molecular Formula C17H16N2
Exact Mass 248.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CW2kQqOFTj6
Name N,N'-Trimethylene-syn-1,6:8,13-diimino[14]annulene
Alternate Name(s) 14,18-diazatetracyclo[11.5.1.0(6,18).0(8,14)]nonadeca-1,3,5,7,9,11,13(19)-heptaene
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Formula C17H16N2
InChI InChI=1S/C17H16N2/c1-2-7-15-13-17-9-4-3-8-16-12-14(6-1)18(15)10-5-11-19(16)17/h1-4,6-9,12-13H,5,10-11H2/b14-12-,15-13+,16-12-,17-13+
InChIKey VLNFDNCMUAOUFR-KPLUMIBISA-N
Molecular Weight 248.329 g/mol
SMILES C=12N3C(\C=C\4C=CC=C\C(=C/2)N4CCC3)=CC=CC1
SPLASH splash10-006t-0190000000-0c33fa53134363f6b93c
Source of Spectrum C-114-7114-3
Wiley ID 1251754