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4-[(E)-1'-Benzyl-2'-(phenylethenyl)]-[2.2]paracyclophane
SpectraBase Compound ID 7FQIK0lQLLq
InChI InChI=1S/C31H28/c1-3-7-26(8-4-1)21-30(22-27-9-5-2-6-10-27)31-23-28-16-15-24-11-13-25(14-12-24)17-19-29(31)20-18-28/h1-14,18,20-21,23H,15-17,19,22H2/b30-21+
InChIKey XFCQNGNNLBMQAG-MWAVMZGNSA-N
Mol Weight 400.57 g/mol
Molecular Formula C31H28
Exact Mass 400.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtbldJVUMl7
Name 4-[(E)-1'-Benzyl-2'-(phenylethenyl)]-[2.2]paracyclophane
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Formula C31H28
InChI InChI=1S/C31H28/c1-3-7-26(8-4-1)21-30(22-27-9-5-2-6-10-27)31-23-28-16-15-24-11-13-25(14-12-24)17-19-29(31)20-18-28/h1-14,18,20-21,23H,15-17,19,22H2/b30-21+
InChIKey XFCQNGNNLBMQAG-MWAVMZGNSA-N
Molecular Weight 400.565 g/mol
SMILES c1(\C(=C\c2ccccc2)Cc2ccccc2)c2CCc3ccc(CCc(c1)cc2)cc3
SPLASH splash10-0a4i-7293300000-afcf6d444660cb8f5710
Source of Spectrum U1-2000-3027-11
Synonyms 13-((E)-1-Benzyl-2-phenyl-vinyl)-tricyclo[8.2.2.2*4,7*]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaene
Wiley ID 753992