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CAELESTINE_D;6,7-DIBROMO-8-METHOXY-4-OXO-DIHYDROQUINOLINE-2-CARBOXYLIC_ACID
SpectraBase Compound ID EzmfDLkVdfo
InChI InChI=1S/C11H7Br2NO4/c1-18-10-8(13)5(12)2-4-7(15)3-6(11(16)17)14-9(4)10/h2-3H,1H3,(H,14,15)(H,16,17)
InChIKey LIJOWGSMOWBQHL-UHFFFAOYSA-N
Mol Weight 376.99 g/mol
Molecular Formula C11H7Br2NO4
Exact Mass 374.874184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LbAivhbgA0Z
Name CAELESTINE_D;6,7-DIBROMO-8-METHOXY-4-OXO-DIHYDROQUINOLINE-2-CARBOXYLIC_ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H7Br2NO4
InChI InChI=1S/C11H7Br2NO4/c1-18-10-8(13)5(12)2-4-7(15)3-6(11(16)17)14-9(4)10/h2-3H,1H3,(H,14,15)(H,16,17)
InChIKey LIJOWGSMOWBQHL-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 376.989 g/mol
Sample ID 36188
Solvent DMSO-D6:DCl