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10,11,27,28-Tetraethyl[3.2.3.2]paracyclophane-10,27-diene
SpectraBase Compound ID 5Vf1vOaLXaD
InChI InChI=1S/C42H48/c1-5-39-35-23-15-31(16-24-35)11-9-13-33-19-27-37(28-20-33)41(7-3)42(8-4)38-29-21-34(22-30-38)14-10-12-32-17-25-36(26-18-32)40(39)6-2/h15-30H,5-14H2,1-4H3/b40-39-,42-41-
InChIKey TYAOMHADPFVUMQ-STRIRVCHSA-N
Mol Weight 552.8 g/mol
Molecular Formula C42H48
Exact Mass 552.375602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwS8SxEFhsR
Name 10,11,27,28-Tetraethyl[3.2.3.2]paracyclophane-10,27-diene
CAS Registry Number 121733-07-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H48
InChI InChI=1S/C42H48/c1-5-39-35-23-15-31(16-24-35)11-9-13-33-19-27-37(28-20-33)41(7-3)42(8-4)38-29-21-34(22-30-38)14-10-12-32-17-25-36(26-18-32)40(39)6-2/h15-30H,5-14H2,1-4H3/b40-39-,42-41-
InChIKey TYAOMHADPFVUMQ-STRIRVCHSA-N
Molecular Weight 552.846 g/mol
SMILES c1c2ccc(\C(=C\(CC)c3ccc(cc3)CCCc3ccc(cc3)\C(CC)=C/(c3ccc(CCC2)cc3)CC)CC)c1
SPLASH splash10-0udi-2930060000-80a0325b7c7815c6d838
Wiley ID 1476823