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15,16;19,20;21,22-syn-Octacyclo[10.6.2.2(3,10).2(5,8).2(14,17).0(2,11).0(4,9).0(13,18)]hexacosa-6,15,19,21-tetraene
SpectraBase Compound ID 1u3UrhAflUc
InChI InChI=1S/C26H30/c1-2-14-4-3-13(1)21-17-9-10-18(22(14)21)26-20-12-11-19(25(17)26)23-15-5-7-16(8-6-15)24(20)23/h1-2,5,7,9-26H,3-4,6,8H2/t13-,14+,15+,16-,17-,18+,19-,20+,21+,22-,23-,24+,25-,26+
InChIKey KCXOHIDPKOGRIH-TXWIWOIOSA-N
Mol Weight 342.53 g/mol
Molecular Formula C26H30
Exact Mass 342.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbqmnWCtCvY
Name 15,16;19,20;21,22-syn-Octacyclo[10.6.2.2(3,10).2(5,8).2(14,17).0(2,11).0(4,9).0(13,18)]hexacosa-6,15,19,21-tetraene
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Formula C26H30
InChI InChI=1S/C26H30/c1-2-14-4-3-13(1)21-17-9-10-18(22(14)21)26-20-12-11-19(25(17)26)23-15-5-7-16(8-6-15)24(20)23/h1-2,5,7,9-26H,3-4,6,8H2/t13-,14+,15+,16-,17-,18+,19-,20+,21+,22-,23-,24+,25-,26+
InChIKey KCXOHIDPKOGRIH-TXWIWOIOSA-N
Molecular Weight 342.526 g/mol
SMILES [C@]12([C@]([C@]3(C=C[C@@]2([C@@]2([C@]3([C@@]3(C=C[C@]2(CC3)[H])[H])[H])[H])[H])[H])([C@]2(C=C[C@@]1([C@]1([C@@]2([C@]2(C=C[C@@]1(CC2)[H])[H])[H])[H])[H])[H])[H])[H]
SPLASH splash10-03ec-6096000000-fbc85135b4a89f767ed3
Source of Spectrum KC-0-1898-20
Synonyms all-syn-Octacyclo[10.6.2.2(3,10).2(5,8).2(14,17).0(2,11).0(4,9).0(13,18)]hexacosa-6,15,19,21-tetraene Octacyclo[10.6.2.2(3,10).2(5,8).2(14,17).0(2,11).0(4,9).0(13,18)]hexacosa-6,15,19,23-tetraene
Wiley ID 825272