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(1aS,5aS,8S)-8-Phenyl-1a,5a-dihydro-1H-cyclopropa[d]azulene-6,6,7,7-tetracarbonitrile
SpectraBase Compound ID CjGEuZhm4tk
InChI InChI=1S/C21H14N4/c22-11-19(12-23)17-9-5-4-8-16-10-21(16,17)18(20(19,13-24)14-25)15-6-2-1-3-7-15/h1-9,16-18H,10H2/t16-,17-,18-,21?/m1/s1
InChIKey MDXOFUNHKFXKBI-WYKVRPKTSA-N
Mol Weight 322.37 g/mol
Molecular Formula C21H14N4
Exact Mass 322.121846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WsW6ZJKBAA
Name (1aS,5aS,8S)-8-Phenyl-1a,5a-dihydro-1H-cyclopropa[d]azulene-6,6,7,7-tetracarbonitrile
Alternate Name(s) (1aS,5aS,8S)-8-phenyl-1a,5a-dihydrocyclopropa[d]azulene-6,6,7,7(1H,8H)-tetracarbonitrile 11-Phenyltricyclo[6.3.0.0(1,3)]undeca-4,6-diene-9,9,10,10-tetracarbonitrile
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Formula C21H14N4
InChI InChI=1S/C21H14N4/c22-11-19(12-23)17-9-5-4-8-16-10-21(16,17)18(20(19,13-24)14-25)15-6-2-1-3-7-15/h1-9,16-18H,10H2/t16-,17-,18-,21?/m1/s1
InChIKey MDXOFUNHKFXKBI-WYKVRPKTSA-N
Molecular Weight 322.371 g/mol
SMILES C123[C@@](C(C#N)(C#N)C([C@]3(C=CC=C[C@]1([H])C2)[H])(C#N)C#N)(c1ccccc1)[H]
SPLASH splash10-0ftf-7901000000-93d1857a0f12af9277dd
Source of Spectrum C-88-2018-16
Wiley ID 1590282