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2,7-Dinitro-trans-12c,12D-dimethyl-12c,12D-dihydro-benzo(E)-pyrene

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2,7-Dinitro-trans-12c,12D-dimethyl-12c,12D-dihydro-benzo(E)-pyrene
SpectraBase Compound ID 3ZUSWT5gw6m
InChI InChI=1S/C22H16N2O4/c1-21-13-7-8-14-10-16(24(27)28)12-20(22(14,21)2)18-6-4-3-5-17(18)19(21)11-15(9-13)23(25)26/h3-12H,1-2H3
InChIKey OSMWGYCBEIJGLV-UHFFFAOYSA-N
Mol Weight 372.38 g/mol
Molecular Formula C22H16N2O4
Exact Mass 372.111007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHHdOat1hbE
Name 2,7-Dinitro-trans-12c,12D-dimethyl-12c,12D-dihydro-benzo(E)-pyrene
CAS Registry Number 71809-97-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H16N2O4
InChI InChI=1S/C22H16N2O4/c1-21-13-7-8-14-10-16(24(27)28)12-20(22(14,21)2)18-6-4-3-5-17(18)19(21)11-15(9-13)23(25)26/h3-12H,1-2H3
InChIKey OSMWGYCBEIJGLV-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