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1,8-Bis(2,5-di-tert-butylcyclohexa-2,4-dien-1-yl)octane
SpectraBase Compound ID 3WnJHta3GE6
InChI InChI=1S/C36H62/c1-33(2,3)29-21-23-31(35(7,8)9)27(25-29)19-17-15-13-14-16-18-20-28-26-30(34(4,5)6)22-24-32(28)36(10,11)12/h21-24,27-28H,13-20,25-26H2,1-12H3
InChIKey SEWQRVYPOWONIQ-UHFFFAOYSA-N
Mol Weight 494.9 g/mol
Molecular Formula C36H62
Exact Mass 494.485152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6K2pcVDQCuw
Name 1,8-Bis(2,5-di-tert-butylcyclohexa-2,4-dien-1-yl)octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H62
InChI InChI=1S/C36H62/c1-33(2,3)29-21-23-31(35(7,8)9)27(25-29)19-17-15-13-14-16-18-20-28-26-30(34(4,5)6)22-24-32(28)36(10,11)12/h21-24,27-28H,13-20,25-26H2,1-12H3
InChIKey SEWQRVYPOWONIQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo201757w
Molecular Weight 494.892 g/mol
SMILES C1=C(CC(C(C(C)(C)C)=C1)CCCCCCCCC1CC(=CC=C1C(C)(C)C)C(C)(C)C)C(C)(C)C
SPLASH splash10-0a4i-9000000000-5a2b9c2b6a314e062f28
Source of Spectrum J-76-8572-9c
Synonyms 1,4-Ditert-butyl-5-[8-(2,5-ditert-butyl-1-cyclohexa-2,4-dienyl)octyl]cyclohexa-1,3-diene
Wiley ID 1746958