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1,3-Dideuterio-benzo(A)pyrene

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1,3-Dideuterio-benzo(A)pyrene
SpectraBase Compound ID 6EndLKvWXFG
InChI InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/i5D,6D
InChIKey FMMWHPNWAFZXNH-KCZCTXNHSA-N
Mol Weight 254.33 g/mol
Molecular Formula C20H10D2
Exact Mass 254.106454 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4vL4EQSSRI
Name 1,3-Dideuterio-benzo(A)pyrene
CAS Registry Number 119180-22-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H10D2
InChI InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/i5D,6D
InChIKey FMMWHPNWAFZXNH-KCZCTXNHSA-N
Instrument Name Varian XL-100
Literature Reference G.W. Buchanan, R.S. Ozubko, Can. J. Chem. 53, 1829 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3