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4-(1,2-dihydroaceanthrylen-3-yl)-4-oxobutanoic acid methyl ester
SpectraBase Compound ID 1An3SJwtOdw
InChI InChI=1S/C21H18O3/c1-24-20(23)11-10-19(22)16-7-6-14-12-13-4-2-3-5-15(13)17-8-9-18(16)21(14)17/h2-7,12H,8-11H2,1H3
InChIKey WZBCVSSVSOJEED-UHFFFAOYSA-N
Mol Weight 318.37 g/mol
Molecular Formula C21H18O3
Exact Mass 318.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21WdI3X89GE
Name 4-(1,2-dihydroaceanthrylen-3-yl)-4-oxobutanoic acid methyl ester
Alternate Name(s) 4-Aceanthren-3-yl-4-keto-butyric acid methyl ester Methyl 4-(1,2-dihydroaceanthrylen-3-yl)-4-oxidanylidene-butanoate Methyl 4-(1,2-dihydroaceanthrylen-3-yl)-4-oxo-butanoate
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Formula C21H18O3
InChI InChI=1S/C21H18O3/c1-24-20(23)11-10-19(22)16-7-6-14-12-13-4-2-3-5-15(13)17-8-9-18(16)21(14)17/h2-7,12H,8-11H2,1H3
InChIKey WZBCVSSVSOJEED-UHFFFAOYSA-N
Molecular Weight 318.372 g/mol
SMILES c12c3c(c4ccccc4cc3ccc1C(=O)CCC(=O)OC)CC2
SPLASH splash10-0udi-0091000000-fe1f41398faba9627359
Source of Spectrum KC-0-1219-10
Wiley ID 781176