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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdZ9edLu99E
Name Benz[j]aceanthrylene, 1,2-dihydro-3-methyl-
CAS Registry Number 56-49-5
Copyright Copyright © 2020-2024 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 268.359 g/mol
SMILES Cc1c2c3c(c4c(c5c(cccc5)cc4)cc3cc1)CC2
SPLASH splash10-014i-0290000000-a42ab557b46f63fa0609
Source of Spectrum EP-6111-0-0
Synonyms 3-Methyl-1,2-dihydrobenzo[j]aceanthrylene 1,2-Dihydro-3-methylbenz(j)aceanthrylene 20-MC 20-Methylcholanthrene 3-MC 3-MCA 3-MCH 3-MECA 3-Methoxycholanthrene 3-Methyl-i,j-cyclopentabenz(a)anthracene 3-Methylbenz(j)aceanthrene 3-Methylchloanthrene 3-Methylcholanthren 3-Methylcholanthrene 3-Methylcholanthrene-(20) 3-Methylcyclopentabenzophenanthrene Cholanthrene, 20(3)-methyl Cholanthrene, 3-methyl- MCA Methylcholanthrene AI3-50462 BRN 1913890 CCRIS 386 EINECS 200-276-4 HSDB 2942 NSC 21970 RCRA WASTE NO. U157
Wiley ID 1272888