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(E)-5-tert-Butyl-8-(2-phenylethenyl)[2.2]metacyclophane
SpectraBase Compound ID JMUtJgYg2xB
InChI InChI=1S/C28H30/c1-28(2,3)26-19-24-15-12-22-10-7-11-23(18-22)13-16-25(20-26)27(24)17-14-21-8-5-4-6-9-21/h4-11,14,17-20H,12-13,15-16H2,1-3H3/b17-14+
InChIKey VOSAPJJRDKAXKX-SAPNQHFASA-N
Mol Weight 366.55 g/mol
Molecular Formula C28H30
Exact Mass 366.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JV3uDmUI6mi
Name (E)-5-tert-Butyl-8-(2-phenylethenyl)[2.2]metacyclophane
Comments Less than 3 mono-isotopic peaks
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Formula C28H30
InChI InChI=1S/C28H30/c1-28(2,3)26-19-24-15-12-22-10-7-11-23(18-22)13-16-25(20-26)27(24)17-14-21-8-5-4-6-9-21/h4-11,14,17-20H,12-13,15-16H2,1-3H3/b17-14+
InChIKey VOSAPJJRDKAXKX-SAPNQHFASA-N
Molecular Weight 366.548 g/mol
SMILES c1(\C=C\c2ccccc2)c2cc(cc1CCc1cc(CC2)ccc1)C(C)(C)C
SPLASH splash10-014i-0009000000-f80b7f3c0cc0dfa1becb
Source of Spectrum J-61-5107-3
Synonyms 6-tert-butyl-16-[(E)-2-phenylethenyl]tricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaene
Wiley ID 1352377