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Benz[a]anthracene-1,7,12(2H)-trione, 8-(acetyloxy)-3,4-dihydro-3-methyl-, (.+-.)-
SpectraBase Compound ID 6Q5FdJFXmTf
InChI InChI=1S/C21H16O5/c1-10-8-12-6-7-14-19(17(12)15(23)9-10)21(25)13-4-3-5-16(26-11(2)22)18(13)20(14)24/h3-7,10H,8-9H2,1-2H3
InChIKey SNCFGQUGWSZBOM-UHFFFAOYSA-N
Mol Weight 348.35 g/mol
Molecular Formula C21H16O5
Exact Mass 348.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNuLT9Ml1B7
Name Benz[a]anthracene-1,7,12(2H)-trione, 8-(acetyloxy)-3,4-dihydro-3-methyl-, (.+-.)-
Alternate Name(s) 3-Methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydrobenzo[a]anthracen-8-yl acetate Ochromycinone acetate
CAS Registry Number 111540-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O5
InChI InChI=1S/C21H16O5/c1-10-8-12-6-7-14-19(17(12)15(23)9-10)21(25)13-4-3-5-16(26-11(2)22)18(13)20(14)24/h3-7,10H,8-9H2,1-2H3
InChIKey SNCFGQUGWSZBOM-UHFFFAOYSA-N
Molecular Weight 348.354 g/mol
SMILES c12C(c3cccc(c3C(c2ccc2c1C(CC(C2)C)=O)=O)OC(=O)C)=O
SPLASH splash10-08fr-0097000000-877291ca096c22b884a1
Source of Spectrum I-65-129-2
Wiley ID 1340761