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(syn)-[2.2]-(4,6)-Azulenophane
SpectraBase Compound ID 4b32CTB0056
InChI InChI=1S/C24H20/c1-3-19-11-9-17-7-8-18-10-12-20-4-2-6-24(20)22(16-18)14-13-21(15-17)23(19)5-1/h1-6,9-12,15-16H,7-8,13-14H2
InChIKey CQGFYIFTBHWSBZ-UHFFFAOYSA-N
Mol Weight 308.42 g/mol
Molecular Formula C24H20
Exact Mass 308.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSdXXUrDgeV
Name (syn)-[2.2]-(4,6)-Azulenophane
Alternate Name(s) Pentacyclo[13.7.1.1(4,12).0(5,9).0(18,22)]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene
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Formula C24H20
InChI InChI=1S/C24H20/c1-3-19-11-9-17-7-8-18-10-12-20-4-2-6-24(20)22(16-18)14-13-21(15-17)23(19)5-1/h1-6,9-12,15-16H,7-8,13-14H2
InChIKey CQGFYIFTBHWSBZ-UHFFFAOYSA-N
Molecular Weight 308.424 g/mol
SMILES c12c3c(ccc(c2)CCc2cc(CC1)c1c(cc2)ccc1)ccc3
SPLASH splash10-0pb9-0956000000-b9afe3c0c4cf39024195
Source of Spectrum U1-1998-432-12
Wiley ID 750878