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Benz[j]aceanthrylene, 3-methyl-
SpectraBase Compound ID 4YROjHTF903
InChI InChI=1S/C21H14/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/h2-12H,1H3
InChIKey HUIUEHNRLHPDBT-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C21H14
Exact Mass 266.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASc8X8HAiVE
Name Benz[j]aceanthrylene, 3-methyl-
Alternate Name(s) 3-Methylbenzo[j]aceanthrylene 1,2-Dehydro-3-methylcholanthrene 20-Methylcholanthrylene 3-Methylbenz(j)aceanthrylene 3-Methylcholanthrylene Dehydro-3-methylcholanthrene BRN 2270883 CCRIS 2479 NSC 400562
CAS Registry Number 3343-10-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14
InChI InChI=1S/C21H14/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/h2-12H,1H3
InChIKey HUIUEHNRLHPDBT-UHFFFAOYSA-N
Molecular Weight 266.343 g/mol
SMILES Cc1c2c3c(c4c(c5c(cccc5)cc4)cc3cc1)C=C2
SPLASH splash10-014i-1290000000-bdf409574c5f85774acf
Source of Spectrum A-0-0-203
Wiley ID 1270831