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BRUNNEIN_A;(-)-(3-S)-7-HYDROXY-1-METHYL-4,9-DIHYDRO-3-H-BETA-CARBOLINE-3-CARBOXYLIC_ACID
SpectraBase Compound ID 4Qglxm2C8wX
InChI InChI=1S/C13H12N2O3/c1-6-12-9(5-11(14-6)13(17)18)8-3-2-7(16)4-10(8)15-12/h2-4,11,15-16H,5H2,1H3,(H,17,18)/t11-/m0/s1
InChIKey KSNGZQWONODVBX-NSHDSACASA-N
Mol Weight 244.25 g/mol
Molecular Formula C13H12N2O3
Exact Mass 244.084792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXc30rJ8O5R
Name BRUNNEIN_A;(-)-(3-S)-7-HYDROXY-1-METHYL-4,9-DIHYDRO-3-H-BETA-CARBOLINE-3-CARBOXYLIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N2O3
InChI InChI=1S/C13H12N2O3/c1-6-12-9(5-11(14-6)13(17)18)8-3-2-7(16)4-10(8)15-12/h2-4,11,15-16H,5H2,1H3,(H,17,18)/t11-/m0/s1
InChIKey KSNGZQWONODVBX-NSHDSACASA-N
Literature Reference Author A.TEICHERT,J.SCHMIDT,A.PORZEL,N.ARNOLD,L.WESSJOHANN
Literature Reference Citation J.NAT.PROD.,70,1529(2007)
Literature Reference DOI 10.1021/np070259w
Molecular Weight 244.250 g/mol
Sample ID 31608
Solvent DMSO-D6