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Methoxy-3-methylcholanthrene
SpectraBase Compound ID CQRQZtpBcgN
InChI InChI=1S/C22H18O/c1-13-7-8-15-11-19-16-6-4-3-5-14(16)9-10-17(19)22-20(23-2)12-18(13)21(15)22/h3-11,20H,12H2,1-2H3
InChIKey FYDJYIOXHNPURF-UHFFFAOYSA-N
Mol Weight 298.38 g/mol
Molecular Formula C22H18O
Exact Mass 298.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fXmBHQ5rxv
Name Methoxy-3-methylcholanthrene
Alternate Name(s) 1-Methoxy-3-methyl-1,2-dihydrobenzo[j]aceanthrylene Methyl 3-methyl-1,2-dihydrobenzo[j]aceanthrylen-1-yl ether
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Formula C22H18O
InChI InChI=1S/C22H18O/c1-13-7-8-15-11-19-16-6-4-3-5-14(16)9-10-17(19)22-20(23-2)12-18(13)21(15)22/h3-11,20H,12H2,1-2H3
InChIKey FYDJYIOXHNPURF-UHFFFAOYSA-N
Molecular Weight 298.385 g/mol
SMILES c12c3c(c(C)ccc3cc3c1ccc1ccccc31)CC2OC
SPLASH splash10-0002-0090000000-3fcc2992a2b92613c2e9
Source of Spectrum C-98-2835-0
Wiley ID 1301625