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4-(1,2-dihydroaceanthrylen-5-yl)-4-oxobutanoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

4-(1,2-dihydroaceanthrylen-5-yl)-4-oxobutanoic acid methyl ester
SpectraBase Compound ID EZx4HrOZnkv
InChI InChI=1S/C21H18O3/c1-24-20(23)11-10-19(22)16-8-6-13-7-9-17-15-5-3-2-4-14(15)12-18(16)21(13)17/h2-6,8,12H,7,9-11H2,1H3
InChIKey UBMKLDBILKJVAY-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 4XPzZyRMxM
Name 4-(1,2-dihydroaceanthrylen-5-yl)-4-oxobutanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O3
InChI InChI=1S/C21H18O3/c1-24-20(23)11-10-19(22)16-8-6-13-7-9-17-15-5-3-2-4-14(15)12-18(16)21(13)17/h2-6,8,12H,7,9-11H2,1H3
InChIKey UBMKLDBILKJVAY-UHFFFAOYSA-N
Molecular Weight 318.372 g/mol
SMILES c12c3c(c(C(=O)CCC(=O)OC)ccc3CC1)cc1c2cccc1
SPLASH splash10-0159-0089000000-20bd7f9d9e10ee8fa37a
Source of Spectrum KC-0-1219-11
Synonyms 4-Aceanthren-5-yl-4-keto-butyric acid methyl ester Methyl 4-(1,2-dihydroaceanthrylen-5-yl)-4-oxidanylidene-butanoate Methyl 4-(1,2-dihydroaceanthrylen-5-yl)-4-oxo-butanoate
Wiley ID 781177