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(E)-5-Tert-butyl-8-(2-phenylethenyl)[2.2]metacyclophane

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID rvmhwUYKIH
Name (E)-5-Tert-butyl-8-(2-phenylethenyl)[2.2]metacyclophane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.234750966 u
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 C=1(\C=C\C2=CC=CC=C2)C2=CC(=CC1CCC=1C=C(CC2)C=CC1)C(C)(C)C