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trans-12c,12D-Dimethyl-12c,12D-dihydro-benzo(E)-pyrene
SpectraBase Compound ID 2RrtlA7FWAw
InChI InChI=1S/C22H18/c1-21-15-7-5-11-19(21)17-9-3-4-10-18(17)20-12-6-8-16(14-13-15)22(20,21)2/h3-14H,1-2H3
InChIKey OBPJXRUDZSZEIW-UHFFFAOYSA-N
Mol Weight 282.39 g/mol
Molecular Formula C22H18
Exact Mass 282.140851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KLbVclgKD7I
Name trans-12c,12D-Dimethyl-12c,12D-dihydro-benzo(E)-pyrene
CAS Registry Number 65649-31-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H18
InChI InChI=1S/C22H18/c1-21-15-7-5-11-19(21)17-9-3-4-10-18(17)20-12-6-8-16(14-13-15)22(20,21)2/h3-14H,1-2H3
InChIKey OBPJXRUDZSZEIW-UHFFFAOYSA-N
Instrument Name Nicolet TT-14
Literature Reference R.H. Mitchell, J.S. Yan, T.W.Dingle, J. Am. Chem. Soc. 104, 2551 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3