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cis-2,6-Di(9-phenanthryl)-spiro[cyclohexane-1,2'-indane]-1',3',4-trione
SpectraBase Compound ID JJiBkwFH3WQ
InChI InChI=1S/C42H28O3/c43-27-23-38(36-21-25-11-1-3-13-28(25)30-15-5-7-17-32(30)36)42(40(44)34-19-9-10-20-35(34)41(42)45)39(24-27)37-22-26-12-2-4-14-29(26)31-16-6-8-18-33(31)37/h1-22,38-39H,23-24H2/t38-,39+
InChIKey CWYNLNSVIMRZPI-PDZRJKAFSA-N
Mol Weight 580.7 g/mol
Molecular Formula C42H28O3
Exact Mass 580.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JMbGb4W0dF
Name cis-2,6-Di(9-phenanthryl)-spiro[cyclohexane-1,2'-indane]-1',3',4-trione
Alternate Name(s) (2R,6S)-2,6-di(phenanthren-9-yl)spiro[cyclohexane-1,2'-indene]-1',3',4-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H28O3
InChI InChI=1S/C42H28O3/c43-27-23-38(36-21-25-11-1-3-13-28(25)30-15-5-7-17-32(30)36)42(40(44)34-19-9-10-20-35(34)41(42)45)39(24-27)37-22-26-12-2-4-14-29(26)31-16-6-8-18-33(31)37/h1-22,38-39H,23-24H2/t38-,39+
InChIKey CWYNLNSVIMRZPI-PDZRJKAFSA-N
Molecular Weight 580.683 g/mol
SMILES C12(C(c3ccccc3C2=O)=O)[C@](c2c3c(cccc3)c3c(c2)cccc3)(CC(C[C@@]1(c1c2c(cccc2)c2c(c1)cccc2)[H])=O)[H]
SPLASH splash10-0ue9-0194010000-432995fa73988737a407
Source of Spectrum U1-2014-62-9
Wiley ID 1740577