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5-bromo-N-(9,10-dioxo-9,10-dihydro-1-anthracenyl)-2-furamide
SpectraBase Compound ID G5BEcGHWAve
InChI InChI=1S/C19H10BrNO4/c20-15-9-8-14(25-15)19(24)21-13-7-3-6-12-16(13)18(23)11-5-2-1-4-10(11)17(12)22/h1-9H,(H,21,24)
InChIKey JADSDZBBAYDOES-UHFFFAOYSA-N
Mol Weight 396.2 g/mol
Molecular Formula C19H10BrNO4
Exact Mass 394.979321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bnt8bu858Bj
Name 5-Bromo-N-(9,10-dioxo-9,10-dihydro-1-anthracenyl)-2-furamide
Comments Computed using HOSE algorithm
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Exact Mass 394.979320802 u
Formula C19H10BrNO4
InChI InChI=1S/C19H10BrNO4/c20-15-9-8-14(25-15)19(24)21-13-7-3-6-12-16(13)18(23)11-5-2-1-4-10(11)17(12)22/h1-9H,(H,21,24)
InChIKey JADSDZBBAYDOES-UHFFFAOYSA-N
Molecular Weight 396.196 g/mol
SMILES N(C=1C=2C(C=3C(C(=O)C2C=CC1)=CC=CC3)=O)C(C=1OC(Br)=CC1)=O