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4-[(Z)-1'-Benzyl-2'-(phenylethenyl)]-[2.2]paracyclophane
SpectraBase Compound ID 94R1N3UwhPU
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-OFWBYEQRSA-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 5otcFwSrfvN
Name 4-[(Z)-1'-Benzyl-2'-(phenylethenyl)]-[2.2]paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-OFWBYEQRSA-N
Molecular Weight 400.565 g/mol
SMILES c1(\C(=C/c2ccccc2)Cc2ccccc2)c2CCc3ccc(CCc(c1)cc2)cc3
SPLASH splash10-0a4i-4391400000-41141c318a8d90b47a2d
Source of Spectrum U1-2000-3027-12
Wiley ID 753991