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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BfO7WZgu5x5
Name 3-Methylcholanthrene
Source of Sample Sigma
Catalog Number 213942
CAS Registry Number 56-49-5
Classification Aromatic hydrocarbons
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 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
Purity 98%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Mull
Wiley ID SIAL_FTIR_1_3350