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Angelicin

View entire compound with spectra: 12 NMR, and 6 MS (GC)

Angelicin
SpectraBase Compound ID 2xfDJ263aAq
InChI InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
InChIKey XDROKJSWHURZGO-UHFFFAOYSA-N
Mol Weight 186.17 g/mol
Molecular Formula C11H6O3
Exact Mass 186.031694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2YCHNmUXA7c
Name ANGELICIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H6O3
InChI InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
InChIKey XDROKJSWHURZGO-UHFFFAOYSA-N
Literature Reference Author H.DUDDECK,M.KAISER
Literature Reference Citation ORG.MAGN.RES.,20,55(1982)
Literature Reference DOI 10.1002/mrc.1270200202
Molecular Weight 186.167 g/mol
Solvent CDCl3
Source File Reference UNIW5776