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GYMNOPALYNE_B;3-(3-CHLOROPROP-1-YN-1-YL)-3,4-DIHYDRO-1-H-ISOCHROMEN-1-ONE
SpectraBase Compound ID EgsOlQHEl3E
InChI InChI=1S/C12H9ClO2/c13-7-3-5-10-8-9-4-1-2-6-11(9)12(14)15-10/h1-2,4,6,10H,7-8H2/t10-/m1/s1
InChIKey HIULLKVUQCDVBL-SNVBAGLBSA-N
Mol Weight 220.65 g/mol
Molecular Formula C12H9ClO2
Exact Mass 220.029107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EOPRswF6Bxr
Name GYMNOPALYNE_B;3-(3-CHLOROPROP-1-YN-1-YL)-3,4-DIHYDRO-1-H-ISOCHROMEN-1-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9ClO2
InChI InChI=1S/C12H9ClO2/c13-7-3-5-10-8-9-4-1-2-6-11(9)12(14)15-10/h1-2,4,6,10H,7-8H2/t10-/m1/s1
InChIKey HIULLKVUQCDVBL-SNVBAGLBSA-N
Literature Reference Author B.THONGBAI,F.SURUP,K.MOHR,E.KUHNERT,K.D.HYDE,M.STADLER
Literature Reference Citation J.NAT.PROD.,76,2141(2013)
Literature Reference DOI 10.1021/np400609f
Molecular Weight 220.655 g/mol
Solvent CD3OD
Source File Reference UWMZ43681