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2-(3-acetoacetyl-4-hydroxy-9,10-diketo-2-anthryl)acetic acid tert-butyl ester
SpectraBase Compound ID EnprX0pczqK
InChI InChI=1S/C24H22O7/c1-12(25)9-17(26)19-13(11-18(27)31-24(2,3)4)10-16-20(23(19)30)22(29)15-8-6-5-7-14(15)21(16)28/h5-8,10,30H,9,11H2,1-4H3
InChIKey YGSUETMAJWFCID-UHFFFAOYSA-N
Mol Weight 422.43 g/mol
Molecular Formula C24H22O7
Exact Mass 422.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Id7p0J7VSME
Name 2-(3-acetoacetyl-4-hydroxy-9,10-diketo-2-anthryl)acetic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O7
InChI InChI=1S/C24H22O7/c1-12(25)9-17(26)19-13(11-18(27)31-24(2,3)4)10-16-20(23(19)30)22(29)15-8-6-5-7-14(15)21(16)28/h5-8,10,30H,9,11H2,1-4H3
InChIKey YGSUETMAJWFCID-UHFFFAOYSA-N
Molecular Weight 422.433 g/mol
SMILES Oc1c2c(C(=O)c3c(C2=O)cccc3)cc(c1C(CC(=O)C)=O)CC(OC(C)(C)C)=O
SPLASH splash10-0avi-0029000000-04bc6bbc0b698292a483
Source of Spectrum U-1996-275-15
Synonyms 2-[3-(1,3-dioxobutyl)-4-hydroxy-9,10-dioxo-2-anthracenyl]acetic acid tert-butyl ester tert-Butyl 2-[4-hydroxy-9,10-dioxo-3-(3-oxobutanoyl)-2-anthryl]acetate tert-Butyl 2-[4-hydroxy-9,10-dioxo-3-(3-oxobutanoyl)anthracen-2-yl]acetate tert-Butyl 2-[4-oxidanyl-9,10-bis(oxidanylidene)-3-(3-oxidanylidenebutanoyl)anthracen-2-yl]ethanoate
Wiley ID 768220