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PROTONATED_FORM_OF_1-NITROPYRENE
SpectraBase Compound ID IMa9rchFPuC
InChI InChI=1S/C16H12NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-8,18-19H,9H2/q+1
InChIKey WRNPUJPMQGFMEH-UHFFFAOYSA-N
Mol Weight 248.26 g/mol
Molecular Formula C16H10NO2
Exact Mass 248.071154 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 911cK3Shh8E
Name PROTONATED_FORM_OF_1-NITROPYRENE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H10NO2
InChI InChI=1S/C16H12NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-8,18-19H,9H2/q+1
InChIKey WRNPUJPMQGFMEH-UHFFFAOYSA-N
Literature Reference Author K.K.LAALI,S.BOLVIG,P.E.HANSEN
Literature Reference Citation J.CHEM.SOC.PERKIN-2,537(1995)
Literature Reference DOI 10.1039/p29950000537
Molecular Weight 248.261 g/mol
Solvent FSO3H-SO2