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[2.2](3,3')-Stilbenophane

View entire compound with spectra: 1 MS (GC)

[2.2](3,3')-Stilbenophane
SpectraBase Compound ID 17SrC998U9h
InChI InChI=1S/C32H28/c1-5-25-13-15-27-7-2-9-29(22-27)17-19-31-11-4-12-32(24-31)20-18-30-10-3-8-28(23-30)16-14-26(6-1)21-25/h1-13,15,18,20-24H,14,16-17,19H2/b15-13+,20-18+
InChIKey CBYOJTUKHUFVQJ-MQPHZJRASA-N
Mol Weight 412.6 g/mol
Molecular Formula C32H28
Exact Mass 412.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETtqH9F7apc
Name [2.2](3,3')-Stilbenophane
Alternate Name(s) Pentacyclo[23.3.1.1(4,8).1(11,15).1(18,22)]dotriaconta-1(29),2,4(32),5,7,11(31),12,14,16,18(30),19,21,25,27-tetradecaene
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Formula C32H28
InChI InChI=1S/C32H28/c1-5-25-13-15-27-7-2-9-29(22-27)17-19-31-11-4-12-32(24-31)20-18-30-10-3-8-28(23-30)16-14-26(6-1)21-25/h1-13,15,18,20-24H,14,16-17,19H2/b15-13+,20-18+
InChIKey CBYOJTUKHUFVQJ-MQPHZJRASA-N
Molecular Weight 412.576 g/mol
SMILES c12\C=C\c3cc(CCc4cc(\C=C\c5cc(CCc(c2)ccc1)ccc5)ccc4)ccc3
SPLASH splash10-03di-0200900000-ab546cffd17af4015be7
Source of Spectrum K-125-2536-21
Wiley ID 1374918