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Rubrene
SpectraBase Compound ID DM2z8FSFMd6
InChI InChI=1S/C42H28/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30/h1-28H
InChIKey YYMBJDOZVAITBP-UHFFFAOYSA-N
Mol Weight 532.7 g/mol
Molecular Formula C42H28
Exact Mass 532.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5M23HOAjUjx
Name 5,6,11,12-Tetraphenylnaphthacene
Alternate Name(s) 5,6,11,12-Tetraphenyltetracene Naphthacene, 5,6,11,12-tetraphenyl- Rubren Rubrene
CAS Registry Number 517-51-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H28
InChI InChI=1S/C42H28/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30/h1-28H
InChIKey YYMBJDOZVAITBP-UHFFFAOYSA-N
Molecular Weight 532.686 g/mol
SMILES c1ccc(-c2c3c(c(c4c2cccc4)-c2ccccc2)c(c2c(c3-c3ccccc3)cccc2)-c2ccccc2)cc1
SPLASH splash10-001i-2003590000-c6e7e732d84e32f668c2
Wiley ID 1498371