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(6,11-dihydroxy-5,12-dioxo-1,4,4a,12a-tetrahydrotetracen-1-yl) acetate
SpectraBase Compound ID 5X8gy6uQjeP
InChI InChI=1S/C20H16O6/c1-9(21)26-13-8-4-7-12-14(13)20(25)16-15(19(12)24)17(22)10-5-2-3-6-11(10)18(16)23/h2-6,8,12-14,22-23H,7H2,1H3
InChIKey PKMQTGWTSFZTBB-UHFFFAOYSA-N
Mol Weight 352.34 g/mol
Molecular Formula C20H16O6
Exact Mass 352.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkS6UT9wmFY
Name (6,11-dihydroxy-5,12-dioxo-1,4,4a,12a-tetrahydrotetracen-1-yl) acetate
CAS Registry Number 58976-93-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O6
InChI InChI=1S/C20H16O6/c1-9(21)26-13-8-4-7-12-14(13)20(25)16-15(19(12)24)17(22)10-5-2-3-6-11(10)18(16)23/h2-6,8,12-14,22-23H,7H2,1H3
InChIKey PKMQTGWTSFZTBB-UHFFFAOYSA-N
Molecular Weight 352.342 g/mol
SMILES Oc1c2ccccc2c(c2c1C(C1C(C2=O)C(C=CC1)OC(C)=O)=O)O
SPLASH splash10-0006-0091000000-9455c9728bc729b01d96
Source of Spectrum J-41-2301-0
Synonyms Acetic acid (6,11-dihydroxy-5,12-diketo-1,4,4a,12a-tetrahydrotetracen-1-yl) ester Acetic acid (6,11-dihydroxy-5,12-dioxo-1,4,4a,12a-tetrahydrotetracen-1-yl) ester
Wiley ID 1343250