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Benz[a]anthracene-9-carboxylic acid, 8,9,10,11-tetrahydro-8-oxo-, ethyl ester
SpectraBase Compound ID 3JyABxKl3Jp
InChI InChI=1S/C21H18O3/c1-2-24-21(23)17-10-9-15-11-18-14(12-19(15)20(17)22)8-7-13-5-3-4-6-16(13)18/h3-8,11-12,17H,2,9-10H2,1H3
InChIKey KUMBEHHTBSVGDH-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 Bo6UhA9mdGU
Name Benz[a]anthracene-9-carboxylic acid, 8,9,10,11-tetrahydro-8-oxo-, ethyl ester
CAS Registry Number 127239-42-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O3
InChI InChI=1S/C21H18O3/c1-2-24-21(23)17-10-9-15-11-18-14(12-19(15)20(17)22)8-7-13-5-3-4-6-16(13)18/h3-8,11-12,17H,2,9-10H2,1H3
InChIKey KUMBEHHTBSVGDH-UHFFFAOYSA-N
Molecular Weight 318.372 g/mol
SMILES C1(C(C(=O)OCC)CCc2c1cc1c(c3ccccc3cc1)c2)=O
SPLASH splash10-01b9-0094000000-2c5c0da7591bf8da351e
Source of Spectrum KC-1989-2231-4
Synonyms Ethyl 8-oxo-8,9,10,11-tetrahydrobenzo[a]anthracene-9-carboxylate Ethyl 8-oxo-8,9,10,11-tetrahydrobenz[a]anthracene-9-car-boxylate
Wiley ID 1318886