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bis(2-Methylpropyl) 4,4'-[phenanthrene-3",6'-diyl)-bis(ethene-1'',2"'-diyl)]-bis(benzoate)

View entire compound with spectra: 1 MS (GC)

bis(2-Methylpropyl) 4,4'-[phenanthrene-3",6'-diyl)-bis(ethene-1'',2"'-diyl)]-bis(benzoate)
SpectraBase Compound ID GbrYjguhPap
InChI InChI=1S/C40H38O4/c1-27(2)25-43-39(41)35-17-9-29(10-18-35)5-7-31-13-15-33-21-22-34-16-14-32(24-38(34)37(33)23-31)8-6-30-11-19-36(20-12-30)40(42)44-26-28(3)4/h5-24,27-28H,25-26H2,1-4H3/b7-5+,8-6+
InChIKey YKBABWLTFGCELV-KQQUZDAGSA-N
Mol Weight 582.7 g/mol
Molecular Formula C40H38O4
Exact Mass 582.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUIoKqtFuxT
Name bis(2-Methylpropyl) 4,4'-[phenanthrene-3",6'-diyl)-bis(ethene-1'',2"'-diyl)]-bis(benzoate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H38O4
InChI InChI=1S/C40H38O4/c1-27(2)25-43-39(41)35-17-9-29(10-18-35)5-7-31-13-15-33-21-22-34-16-14-32(24-38(34)37(33)23-31)8-6-30-11-19-36(20-12-30)40(42)44-26-28(3)4/h5-24,27-28H,25-26H2,1-4H3/b7-5+,8-6+
InChIKey YKBABWLTFGCELV-KQQUZDAGSA-N
Molecular Weight 582.740 g/mol
SMILES c12c3cc(\C=C\c4ccc(C(OCC(C)C)=O)cc4)ccc3ccc1ccc(\C=C\c1ccc(C(OCC(C)C)=O)cc1)c2
SPLASH splash10-001i-0000090000-f4d6a37d3afe8db9d82f
Source of Spectrum H-76-2772-8
Synonyms Bis(2-methylpropyl) 4,4'-[phenanthrene-3'',6'-diyl)-bis(ethene-1'',2'''-diyl)]-bis(benzoate) bis(2-Methylpropyl) 4,4'-[phenanthrene-3'',6'-diyl)-bis(ethene-1'',2'''-diyl)]-bis(benzoate)
Wiley ID 1408711