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3-Methylcholanthrene
SpectraBase Compound ID 7gQl2eJqWwR
InChI InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3
InChIKey PPQNQXQZIWHJRB-UHFFFAOYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C21H16
Exact Mass 268.125201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIHB5x8fEoi
Name 3-METHYLCHOLANTHRENE
Source of Sample C. A. Maggiulli and P.W. Tang, Eastman Kodak Company, Rochester, New York
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16
InChI InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3
InChIKey PPQNQXQZIWHJRB-UHFFFAOYSA-N
Molecular Weight 268.36
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CHOLANTHRENE, 3-METHYL-, BENZ/J/ACEANTHRYLENE, 1,2-DIHYDRO- 3-METHYL-,