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4,16-bis(4'-Tolyl)-[2.2]paracyclophane
SpectraBase Compound ID K6vkrMFglfS
InChI InChI=1S/C30H28/c1-21-3-11-25(12-4-21)29-19-23-7-15-27(29)17-9-24-8-16-28(18-10-23)30(20-24)26-13-5-22(2)6-14-26/h3-8,11-16,19-20H,9-10,17-18H2,1-2H3
InChIKey LCLVQDBGOLTHRJ-UHFFFAOYSA-N
Mol Weight 388.55 g/mol
Molecular Formula C30H28
Exact Mass 388.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiV4HLMbLX1
Name 4,16-bis(4'-Tolyl)-[2.2]paracyclophane
Alternate Name(s) 4,16-bis(p-Tolyl)-[2,2]paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28
InChI InChI=1S/C30H28/c1-21-3-11-25(12-4-21)29-19-23-7-15-27(29)17-9-24-8-16-28(18-10-23)30(20-24)26-13-5-22(2)6-14-26/h3-8,11-16,19-20H,9-10,17-18H2,1-2H3
InChIKey LCLVQDBGOLTHRJ-UHFFFAOYSA-N
Molecular Weight 388.554 g/mol
SMILES c1(c2ccc(c1)CCc1c(-c3ccc(cc3)C)cc(CC2)cc1)-c1ccc(cc1)C
SPLASH splash10-004m-0901000000-1f828b75e922ca928575
Source of Spectrum F9-1994-1084-7
Wiley ID 1566903