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1-HYDROXY-[(2E),(6Z),(12E)]-CASBA-2,6,12-TRIENE-4,5-DIONE
SpectraBase Compound ID INBzwim1oiV
InChI InChI=1S/C20H28O3/c1-12-6-8-15-16(20(15,4)5)10-14(3)19(23)18(22)11-13(2)17(21)9-7-12/h7,10-11,15-17,21H,6,8-9H2,1-5H3/b12-7+,13-11+,14-10-/t15-,16-,17+/m1/s1
InChIKey GNPSTVCORUXMCF-LOPQSOHLSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8x6CNMHZeSU
Name 1-HYDROXY-[(2E),(6Z),(12E)]-CASBA-2,6,12-TRIENE-4,5-DIONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-12-6-8-15-16(20(15,4)5)10-14(3)19(23)18(22)11-13(2)17(21)9-7-12/h7,10-11,15-17,21H,6,8-9H2,1-5H3/b12-7+,13-11+,14-10-/t15-,16-,17+/m1/s1
InChIKey GNPSTVCORUXMCF-LOPQSOHLSA-N
Literature Reference Author F.A.SILVA-FILHO,R.BRAZ-FILHO,E.R.SILVEIRA,M.A.S.LIMA
Literature Reference Citation MAGN.RES.CHEM.,49,370(2011)
Literature Reference DOI 10.1002/mrc.2752
Molecular Weight 316.441 g/mol
Solvent CDCl3
Source File Reference UWBT12954