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13,14-Bis(diphenylmethylene)pentacyclo[6.4.1.0(3,6).0(9,12).1(2,7)]tetradeca-4,10-diene
SpectraBase Compound ID u0BtiWjD8k
InChI InChI=1S/C40H32/c1-5-13-25(14-6-1)33(26-15-7-2-8-16-26)39-35-29-21-22-30(29)36(39)38-32-24-23-31(32)37(35)40(38)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24,29-32,35-38H/t29-,30-,31?,32?,35-,36+,37+,38+/m1/s1
InChIKey LUKDEYXNWWLPMY-VVUCBMRUSA-N
Mol Weight 512.7 g/mol
Molecular Formula C40H32
Exact Mass 512.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6F6EkIZdXMf
Name 13,14-Bis(diphenylmethylene)pentacyclo[6.4.1.0(3,6).0(9,12).1(2,7)]tetradeca-4,10-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H32
InChI InChI=1S/C40H32/c1-5-13-25(14-6-1)33(26-15-7-2-8-16-26)39-35-29-21-22-30(29)36(39)38-32-24-23-31(32)37(35)40(38)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24,29-32,35-38H/t29-,30-,31?,32?,35-,36+,37+,38+/m1/s1
InChIKey LUKDEYXNWWLPMY-VVUCBMRUSA-N
Molecular Weight 512.696 g/mol
SMILES C1([C@@]2([C@]3(C(=C(c4ccccc4)c4ccccc4)[C@@]([C@@]1(C1C=CC21)[H])([C@@]1(C=C[C@@]31[H])[H])[H])[H])[H])=C(c1ccccc1)c1ccccc1
SPLASH splash10-06r2-0580940000-91bece542cf7f8144d37
Source of Spectrum J-56-1911-8
Synonyms 13,14-bis(diphenylmethylene)pentacyclo[6.4.1.1(2,7).0(3,6).0(9,12)]tetradeca-4,10-diene
Wiley ID 1400937