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8-(Bicyclo[4.4.1]undeca-1',3',5',7',9'-pentaen-2'-yl)-7,9,10-triphenylfluoranthene
SpectraBase Compound ID BjhzQSRfCRe
InChI InChI=1S/C45H30/c1-4-17-32(18-5-1)40-41(33-19-6-2-7-20-33)44-37-27-13-24-31-25-14-28-38(39(31)37)45(44)42(34-21-8-3-9-22-34)43(40)36-26-12-16-30-15-10-11-23-35(36)29-30/h1-28H,29H2
InChIKey LPTDIJHIUNWTKB-UHFFFAOYSA-N
Mol Weight 570.7 g/mol
Molecular Formula C45H30
Exact Mass 570.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSEOTOTJo3I
Name 8-(Bicyclo[4.4.1]undeca-1',3',5',7',9'-pentaen-2'-yl)-7,9,10-triphenylfluoranthene
Alternate Name(s) 8-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-2-yl-7,9,10-triphenylfluoranthene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H30
InChI InChI=1S/C45H30/c1-4-17-32(18-5-1)40-41(33-19-6-2-7-20-33)44-37-27-13-24-31-25-14-28-38(39(31)37)45(44)42(34-21-8-3-9-22-34)43(40)36-26-12-16-30-15-10-11-23-35(36)29-30/h1-28H,29H2
InChIKey LPTDIJHIUNWTKB-UHFFFAOYSA-N
Molecular Weight 570.735 g/mol
SMILES c1-2c(c(-c3ccccc3)c(c(c1-c1ccccc1)-c1ccccc1)C1=C3CC(C=CC=C3)=CC=C1)-c1cccc3c1c2ccc3
SPLASH splash10-00di-0000190000-2d4fec97ecdf47cda805
Source of Spectrum H-77-1055-8
Wiley ID 1407775