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Rubrene

View entire compound with spectra: 3 NMR, 3 FTIR, and 2 MS (GC)

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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JuqCUhZjFjJ
Name Rubrene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number R2206
CAS Registry Number 517-51-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 1H
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 5,6,11,12-Tetraphenylnaphthacene
Wiley ID SIAL_1HNMR_012639