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O-(tert-Butoxycarbonyl)-6-hydroxyanthra[9,1-d,e]-1,3-oxarine-2,7-dione
SpectraBase Compound ID 8LgXzz5Cw35
InChI InChI=1S/C20H15NO6/c1-20(2,3)27-19(24)26-13-9-8-12-14-15(13)17(22)11-7-5-4-6-10(11)16(14)21-18(23)25-12/h4-9H,1-3H3
InChIKey XHTVVJNGRQLMOL-UHFFFAOYSA-N
Mol Weight 365.34 g/mol
Molecular Formula C20H15NO6
Exact Mass 365.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29HytHqrKhw
Name O-(tert-Butoxycarbonyl)-6-hydroxyanthra[9,1-d,e]-1,3-oxarine-2,7-dione
Alternate Name(s) Carbonic acid tert-butyl ester 2,7-dioxo-2,7-dihydro-3-oxa-1-aza-benzo[de]anthracen-6-yl ester tert-butyl 2,7-dioxo-2,7-dihydroanthra[1,9-de][1,3]oxazin-6-yl carbonate
Comments Less than 3 mono-isotopic peaks
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Formula C20H15NO6
InChI InChI=1S/C20H15NO6/c1-20(2,3)27-19(24)26-13-9-8-12-14-15(13)17(22)11-7-5-4-6-10(11)16(14)21-18(23)25-12/h4-9H,1-3H3
InChIKey XHTVVJNGRQLMOL-UHFFFAOYSA-N
Molecular Weight 365.341 g/mol
SMILES c12c3C(=O)c4c(C2=NC(Oc1ccc3OC(OC(C)(C)C)=O)=O)cccc4
SPLASH splash10-014i-0090000000-2c10cb117169bd679279
Source of Spectrum J-58-7411-18
Wiley ID 1351381