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Benz[j]aceanthrylene, 1,2-dihydro-12-methoxy-3-methyl-
SpectraBase Compound ID KHDyqMPTh6K
InChI InChI=1S/C22H18O/c1-13-7-8-15-11-19-17-6-4-3-5-14(17)12-20(23-2)22(19)18-10-9-16(13)21(15)18/h3-8,11-12H,9-10H2,1-2H3
InChIKey ARURMMXQZLMLDZ-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 F9FMP3JUbTN
Name Benz[j]aceanthrylene, 1,2-dihydro-12-methoxy-3-methyl-
Alternate Name(s) 12-Methoxy-3-methyl-1,2-dihydrobenzo[j]aceanthrylene 12-Methoxy-3-methylcholanthrene Methyl 3-methyl-1,2-dihydrobenzo[j]aceanthrylen-12-yl ether
CAS Registry Number 59339-84-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O
InChI InChI=1S/C22H18O/c1-13-7-8-15-11-19-17-6-4-3-5-14(17)12-20(23-2)22(19)18-10-9-16(13)21(15)18/h3-8,11-12H,9-10H2,1-2H3
InChIKey ARURMMXQZLMLDZ-UHFFFAOYSA-N
Molecular Weight 298.385 g/mol
SMILES c12c3c(c4ccccc4cc3OC)cc3c2c(c(cc3)C)CC1
SPLASH splash10-0002-0090000000-437824f5fb4c47e3b8b8
Source of Spectrum C-98-2335-0
Wiley ID 1301626