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1,3,6-Trinitro-pyrene

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1,3,6-Trinitro-pyrene
SpectraBase Compound ID 4KP3lxITuNj
InChI InChI=1S/C16H7N3O6/c20-17(21)12-6-2-8-1-3-10-13(18(22)23)7-14(19(24)25)11-5-4-9(12)15(8)16(10)11/h1-7H
InChIKey BXOXVTWMJCUYLW-UHFFFAOYSA-N
Mol Weight 337.25 g/mol
Molecular Formula C16H7N3O6
Exact Mass 337.033485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4X2i7nBvYW
Name 1,3,6-Trinitro-pyrene
CAS Registry Number 75321-19-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H7N3O6
InChI InChI=1S/C16H7N3O6/c20-17(21)12-6-2-8-1-3-10-13(18(22)23)7-14(19(24)25)11-5-4-9(12)15(8)16(10)11/h1-7H
InChIKey BXOXVTWMJCUYLW-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference S. Kaplan, Org. Magn. Resonance 15, 197 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6