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7,12-Dimethylbenz[a]anthracene

View entire compound with spectra: 14 NMR, 6 FTIR, 1 Raman, and 6 MS (GC)

7,12-Dimethylbenz[a]anthracene
SpectraBase Compound ID BE2arDdUvXM
InChI InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3
InChIKey ARSRBNBHOADGJU-UHFFFAOYSA-N
Mol Weight 256.35 g/mol
Molecular Formula C20H16
Exact Mass 256.125201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wsbGZVnMeC
Name Benz[a]anthracene, 7,12-dimethyl-
CAS Registry Number 57-97-6
Comments DEUTERATED AT C5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H16
InChI InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3
InChIKey ARSRBNBHOADGJU-UHFFFAOYSA-N
Instrument Name Bruker WH-400
Literature Reference D.W. Jones, J.D. Shaw, Magn. Res. Chem. 23, 787 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3