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(+)-XANTHOXYLOL MONOACETATE
SpectraBase Compound ID 8nepOZe1Ruv
InChI InChI=1S/C22H22O7/c1-12(23)29-18-6-4-13(7-19(18)24-2)21-15-9-26-22(16(15)10-25-21)14-3-5-17-20(8-14)28-11-27-17/h3-8,15-16,21-22H,9-11H2,1-2H3/t15-,16-,21?,22-/m0/s1
InChIKey DHVSZJJYRPBLIQ-OYFAKNPNSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2NmpVcJ2N6E
Name (+)-XANTHOXYLOL-MONOACETATE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-12(23)29-18-6-4-13(7-19(18)24-2)21-15-9-26-22(16(15)10-25-21)14-3-5-17-20(8-14)28-11-27-17/h3-8,15-16,21-22H,9-11H2,1-2H3/t15-,16-,21?,22-/m0/s1
InChIKey DHVSZJJYRPBLIQ-OYFAKNPNSA-N
Literature Reference Author M.J.T.G.GONZALEZ,M.M.M.PINTO,A.KIJJOA,C.ANANTACHOKE,W.HERZ
Literature Reference Citation PHYTOCHEM.,32,433(1993)
Literature Reference DOI 10.1016/S0031-9422(00)95010-6
Molecular Weight 398.412 g/mol
Solvent CDCl3
Source File Reference UWMS4548