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BRUNNEIN_C;(-)-(3-S)-7-HYDROXY-2,3,4,9-TETRAHYDRO-1-H-BETA-CARBOLINE-3-CARBOXYLIC_ACID
SpectraBase Compound ID rs9ESMBuI5
InChI InChI=1S/C12H12N2O3/c15-6-1-2-7-8-4-10(12(16)17)13-5-11(8)14-9(7)3-6/h1-3,10,13-15H,4-5H2,(H,16,17)/t10-/m0/s1
InChIKey PYKJRLLVCLLWPW-JTQLQIEISA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9elWs1zYSL
Name BRUNNEIN_C;(-)-(3-S)-7-HYDROXY-2,3,4,9-TETRAHYDRO-1-H-BETA-CARBOLINE-3-CARBOXYLIC_ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c15-6-1-2-7-8-4-10(12(16)17)13-5-11(8)14-9(7)3-6/h1-3,10,13-15H,4-5H2,(H,16,17)/t10-/m0/s1
InChIKey PYKJRLLVCLLWPW-JTQLQIEISA-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 232.239 g/mol
Sample ID 31610
Solvent D2O