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8,8'-(Ethane-1,2-diyl)-bis[5-t-butyl-[2.2]metacyclophane]
SpectraBase Compound ID LTDVVkJ3N99
InChI InChI=1S/C42H50/c1-41(2,3)37-25-33-17-13-29-9-7-10-30(23-29)14-18-34(26-37)39(33)21-22-40-35-19-15-31-11-8-12-32(24-31)16-20-36(40)28-38(27-35)42(4,5)6/h7-12,23-28H,13-22H2,1-6H3
InChIKey AZOLDKRQYIQPPE-UHFFFAOYSA-N
Mol Weight 554.9 g/mol
Molecular Formula C42H50
Exact Mass 554.391252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9toaPRR9hbd
Name 8,8'-(Ethane-1,2-diyl)-bis[5-t-butyl-[2.2]metacyclophane]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H50
InChI InChI=1S/C42H50/c1-41(2,3)37-25-33-17-13-29-9-7-10-30(23-29)14-18-34(26-37)39(33)21-22-40-35-19-15-31-11-8-12-32(24-31)16-20-36(40)28-38(27-35)42(4,5)6/h7-12,23-28H,13-22H2,1-6H3
InChIKey AZOLDKRQYIQPPE-UHFFFAOYSA-N
Molecular Weight 554.862 g/mol
SMILES c1(c2cc(cc1CCc1cc(CC2)ccc1)C(C)(C)C)CCc1c2cc(cc1CCc1cc(CC2)ccc1)C(C)(C)C
SPLASH splash10-0pdi-7070090000-044f453d7b8c5c0c9f2f
Source of Spectrum K-129-294-6
Synonyms 6-tert-Butyl-16-{2-[13-tert-butyltricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaen-15-yl]ethyl}tricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaene
Wiley ID 1406270