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Benz[j]aceanthrylen-1(2H)-one, 3-methyl-
SpectraBase Compound ID DZPoir2nLXY
InChI InChI=1S/C21H14O/c1-12-6-7-14-10-18-15-5-3-2-4-13(15)8-9-16(18)21-19(22)11-17(12)20(14)21/h2-10H,11H2,1H3
InChIKey MNJLMJJOUUALAQ-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C21H14O
Exact Mass 282.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2mrDSMLGJ4
Name Benz[j]aceanthrylen-1(2H)-one, 3-methyl-
Alternate Name(s) 3-Methylbenzo[j]aceanthrylen-1(2H)-one 1-Cholanthrenone, 3-methyl- 1-keto-3-methylcholanthrene 1-Oxo-3-methylcholanthrene 15-Keto-20-methylcholanthrene 20-Methylcholanthren-15-one 3-Methyl-2H-benzo[j]aceanthrylen-1-one 3-Methylcholanthren-1-one 3-Methylcholanthrene-1-one Cholanthren-1-one, 3-methyl- BRN 2287527 CCRIS 1128
CAS Registry Number 3343-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14O
InChI InChI=1S/C21H14O/c1-12-6-7-14-10-18-15-5-3-2-4-13(15)8-9-16(18)21-19(22)11-17(12)20(14)21/h2-10H,11H2,1H3
InChIKey MNJLMJJOUUALAQ-UHFFFAOYSA-N
Molecular Weight 282.342 g/mol
SMILES Cc1ccc2cc3c4ccccc4ccc3c3c2c1CC3=O
SPLASH splash10-001i-0290000000-3300196a259d282de888
Source of Spectrum EP-6112-0-0
Wiley ID 1286550