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1-Cyclohexyl-3-[3,5-di(3-cyclohexylbicyclo[1.1.1]pent-1-yl)-phenyl]-bicyclo[1.1.1]pentan
SpectraBase Compound ID DLT53L3u1gh
InChI InChI=1S/C39H54/c1-4-10-28(11-5-1)34-19-37(20-34,21-34)31-16-32(38-22-35(23-38,24-38)29-12-6-2-7-13-29)18-33(17-31)39-25-36(26-39,27-39)30-14-8-3-9-15-30/h16-18,28-30H,1-15,19-27H2
InChIKey PFYNVJNYFLQZPL-UHFFFAOYSA-N
Mol Weight 522.9 g/mol
Molecular Formula C39H54
Exact Mass 522.422552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jgl9wKOUtj
Name 1-Cyclohexyl-3-[3,5-di(3-cyclohexylbicyclo[1.1.1]pent-1-yl)-phenyl]-bicyclo[1.1.1]pentan
CAS Registry Number 245508-19-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H54
InChI InChI=1S/C39H54/c1-4-10-28(11-5-1)34-19-37(20-34,21-34)31-16-32(38-22-35(23-38,24-38)29-12-6-2-7-13-29)18-33(17-31)39-25-36(26-39,27-39)30-14-8-3-9-15-30/h16-18,28-30H,1-15,19-27H2
InChIKey PFYNVJNYFLQZPL-UHFFFAOYSA-N
Molecular Weight 522.861 g/mol
SMILES c1(cc(cc(c1)C12CC(C2)(C1)C1CCCCC1)C12CC(C1)(C2)C1CCCCC1)C12CC(C2)(C1)C1CCCCC1
SPLASH splash10-0aor-9510000000-2518bce382f19c34e7ce
Source of Spectrum NP-15-8472-0
Synonyms 1-[3,5-Bis(3-cyclohexylbicyclo[1.1.1]pent-1-yl)phenyl]-3-cyclohexylbicyclo[1.1.1]pentane 3-[3,5-bis(1-cyclohexyl-3-bicyclo[1.1.1]pentanyl)phenyl]-1-cyclohexyl-bicyclo[1.1.1]pentane 3-[3,5-bis(1-cyclohexyl-3-bicyclo[1.1.1]pentanyl)phenyl]-1-cyclohexylbicyclo[1.1.1]pentane
Wiley ID 1112921