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trans-12b,12c-Dimethyl-12b,12c-dihydro-benzo(A)-pyrene
SpectraBase Compound ID 1QqDdyHV2eh
InChI InChI=1S/C22H18/c1-21-16-7-5-8-17(21)12-13-20-19-9-4-3-6-15(19)14-18(11-10-16)22(20,21)2/h3-14H,1-2H3
InChIKey KJVCHJCISWBOIL-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 IssvAlNjzIH
Name trans-12b,12c-Dimethyl-12b,12c-dihydro-benzo(A)-pyrene
CAS Registry Number 66093-76-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H18
InChI InChI=1S/C22H18/c1-21-16-7-5-8-17(21)12-13-20-19-9-4-3-6-15(19)14-18(11-10-16)22(20,21)2/h3-14H,1-2H3
InChIKey KJVCHJCISWBOIL-UHFFFAOYSA-N
Instrument Name Nicolet TT-14
Literature Reference R.H. Mitchell, R.J. Carruthers, L. Mazuch, J. Am. Chem. Soc. 104, 2544 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3