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METHYL-4-O-BUTYRYLSHIKIMATE

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METHYL-4-O-BUTYRYLSHIKIMATE
SpectraBase Compound ID 57VghK8jYMI
InChI InChI=1S/C12H18O6/c1-3-4-10(15)18-11-8(13)5-7(6-9(11)14)12(16)17-2/h5,8-9,11,13-14H,3-4,6H2,1-2H3/t8-,9-,11-/m1/s1
InChIKey ZUMGWWUGHIXDKT-FXPVBKGRSA-N
Mol Weight 258.27 g/mol
Molecular Formula C12H18O6
Exact Mass 258.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFtdjlX0nqo
Name METHYL-4-O-BUTYRYLSHIKIMATE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O6
InChI InChI=1S/C12H18O6/c1-3-4-10(15)18-11-8(13)5-7(6-9(11)14)12(16)17-2/h5,8-9,11,13-14H,3-4,6H2,1-2H3/t8-,9-,11-/m1/s1
InChIKey ZUMGWWUGHIXDKT-FXPVBKGRSA-N
Literature Reference Author N.ARMESTO,M.FERRERO,S.FERNANDEZ,V.GOTOR
Literature Reference Citation J.ORG.CHEM.,67,4978(2002)
Literature Reference DOI 10.1021/jo025671p
Molecular Weight 258.271 g/mol
Solvent CDCl3
Source File Reference UWVN23401