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Esculin

View entire compound with spectra: 4 NMR, 2 FTIR, 1 Raman, and 1 MS (GC)

Esculin
SpectraBase Compound ID EKTWnIJjNr3
InChI InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChIKey XHCADAYNFIFUHF-TVKJYDDYSA-N
Mol Weight 340.28 g/mol
Molecular Formula C15H16O9
Exact Mass 340.079432 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4LsSZQOSp7s
Name ESCULIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16O9
InChI InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChIKey XHCADAYNFIFUHF-TVKJYDDYSA-N
Literature Reference Author M.A.DUBOIS,M.WIERER,H.WAGNER
Literature Reference Citation PHYTOCHEM.,29,3369(1990)
Literature Reference DOI 10.1016/0031-9422(90)80221-2
Molecular Weight 340.287 g/mol
Solvent DMSO-D6:TFA-D6
Source File Reference UWLU26831