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Dicyano[2.2]-2-methyl-4-t-butylmetacyclophan-1-ene

View entire compound with spectra: 1 MS (GC)

Dicyano[2.2]-2-methyl-4-t-butylmetacyclophan-1-ene
SpectraBase Compound ID 5ykDUQeXJVv
InChI InChI=1S/C28H32N2/c1-18-11-12-20(27(2,3)4)14-23(18)25(16-29)26(17-30)24-15-21(28(5,6)7)13-19-9-8-10-22(19)24/h11-15H,8-10H2,1-7H3/b26-25-
InChIKey SNBGTDREELXHAA-QPLCGJKRSA-N
Mol Weight 396.6 g/mol
Molecular Formula C28H32N2
Exact Mass 396.256549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmUBXKMEmIy
Name Dicyano[2.2]-2-methyl-4-t-butylmetacyclophan-1-ene
Comments Less than 3 mono-isotopic peaks
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Formula C28H32N2
InChI InChI=1S/C28H32N2/c1-18-11-12-20(27(2,3)4)14-23(18)25(16-29)26(17-30)24-15-21(28(5,6)7)13-19-9-8-10-22(19)24/h11-15H,8-10H2,1-7H3/b26-25-
InChIKey SNBGTDREELXHAA-QPLCGJKRSA-N
Molecular Weight 396.578 g/mol
SMILES c1(\C(=C/(c2cc(C(C)(C)C)ccc2C)C#N)C#N)c2c(CCC2)cc(c1)C(C)(C)C
SPLASH splash10-004i-0009000000-a80baac557cfb9f6a11b
Source of Spectrum AT-42-4347-3
Wiley ID 855094