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(1.alpha.,2.alpha.,3.alpha.,4.alpha.)-1,2-di-2-phenanthyl-3,4-diphenylcyclobutan
SpectraBase Compound ID LNKDzQAsEGG
InChI InChI=1S/C44H32/c1-3-13-31(14-4-1)41-42(32-15-5-2-6-16-32)44(36-24-26-40-34(28-36)22-20-30-12-8-10-18-38(30)40)43(41)35-23-25-39-33(27-35)21-19-29-11-7-9-17-37(29)39/h1-28,41-44H/t41-,42+,43-,44+
InChIKey MGNVNMQCDGHKPE-JCIMKDCBSA-N
Mol Weight 560.7 g/mol
Molecular Formula C44H32
Exact Mass 560.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IraFmQRzBOs
Name (1.alpha.,2.alpha.,3.alpha.,4.alpha.)-1,2-di-2-phenanthyl-3,4-diphenylcyclobutan
CAS Registry Number 100603-85-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H32
InChI InChI=1S/C44H32/c1-3-13-31(14-4-1)41-42(32-15-5-2-6-16-32)44(36-24-26-40-34(28-36)22-20-30-12-8-10-18-38(30)40)43(41)35-23-25-39-33(27-35)21-19-29-11-7-9-17-37(29)39/h1-28,41-44H/t41-,42+,43-,44+
InChIKey MGNVNMQCDGHKPE-JCIMKDCBSA-N
Molecular Weight 560.740 g/mol
SMILES [C@@]1([C@](c2cc3ccc4c(c3cc2)cccc4)([C@@]([C@@]1(c1ccccc1)[H])(c1ccccc1)[H])[H])(c1cc2ccc3c(c2cc1)cccc3)[H]
SPLASH splash10-001i-0090000000-ac823a731884ff49373e
Source of Spectrum K-119-1713-13
Synonyms 2-[(1R,2S,3S,4R)-2-(2-phenanthryl)-3,4-diphenylcyclobutyl]phenanthrene
Wiley ID 1406815