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CAELESTINE_A;7-BROMO-4-OXO-DIHYDROQUINOLINE-2-CARBOXYLIC_ACID
SpectraBase Compound ID 2g7kTLYS2P2
InChI InChI=1S/C10H6BrNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)
InChIKey DGJNOQNOMLMGQD-UHFFFAOYSA-N
Mol Weight 268.07 g/mol
Molecular Formula C10H6BrNO3
Exact Mass 266.953106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XWUhr07Scc
Name CAELESTINE_A;7-BROMO-4-OXO-DIHYDROQUINOLINE-2-CARBOXYLIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H6BrNO3
InChI InChI=1S/C10H6BrNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)
InChIKey DGJNOQNOMLMGQD-UHFFFAOYSA-N
Literature Reference Author S.YIN,G.M.BOYLE,A.R.CARROLL,M.KOTIW,J.DEARNALEY,R.J.QUINN,R. A.DAVIS
Literature Reference Citation J.NAT.PROD.,73,1586(2010)
Literature Reference DOI 10.1021/np100329w
Molecular Weight 268.067 g/mol
Sample ID 36185
Solvent DMSO-D6