John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AqxZZT4CelZ SpectraBase Spectrum ID=HLzt12vfVAt

(accessed ).
5-ACETOXY-7-(2-ACETOXY-3-METHYLBUTYLOXY)-6-METHOXY-COUMARIN
SpectraBase Compound ID AqxZZT4CelZ
InChI InChI=1S/2C19H22O9/c2*1-10(20)26-15(19(3,4)23)9-25-14-8-13-12(6-7-16(22)28-13)17(18(14)24-5)27-11(2)21/h2*6-8,15,23H,9H2,1-5H3/t2*15-/m11/s1
InChIKey NLUCDTOJZSGEKM-PZYGRECOSA-N
Mol Weight 788.75 g/mol
Molecular Formula C38H44O18
Exact Mass 788.252765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HLzt12vfVAt
Name 5-ACETOXY-7-(2-ACETOXY-3-METHYLBUTYLOXY)-6-METHOXY-COUMARIN
Compound Number 1C
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H44O18
InChI InChI=1S/2C19H22O9/c2*1-10(20)26-15(19(3,4)23)9-25-14-8-13-12(6-7-16(22)28-13)17(18(14)24-5)27-11(2)21/h2*6-8,15,23H,9H2,1-5H3/t2*15-/m11/s1
InChIKey NLUCDTOJZSGEKM-PZYGRECOSA-N
Literature Reference Author W.VILEGAS,N.BORALLE,A.CABRERA,A.C.BERNARDI,G.L.POZETTI,S.F.A RANTES
Literature Reference Citation PHYTOCHEM.,38,1017(1995)
Literature Reference DOI 10.1016/0031-9422(94)00726-A
Molecular Weight 788.757 g/mol
Solvent Unknown
Source File Reference UWMS3859
SpectraBase Batch ID QcUknsGmIk