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3-Methylcholanthrene

View entire compound with spectra: 5 NMR, 3 FTIR, 1 Raman, and 2 MS (GC)

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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BSsOHia0BZ5
Name 3-Methylcholanthrene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 213942
CAS Registry Number 56-49-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_003017