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(3-R,1'-R,2'-R)-2'-HYDROXYMETHYL-1'-METHYL-3-CYCLOPENTAN-4'-ONE-2-PROPENYL-3-BENZOATE;MAJOR_ISOMER
SpectraBase Compound ID JwuF6HUZyxb
InChI InChI=1S/C17H20O4/c1-3-15(17(2)10-14(19)9-13(17)11-18)21-16(20)12-7-5-4-6-8-12/h3-8,13,15,18H,1,9-11H2,2H3/t13-,15+,17-/m1/s1
InChIKey NUFLHLHFYCFCFU-UKPHBRMFSA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdePFYXVGFU
Name (3-R,1'-R,2'-R)-2'-HYDROXYMETHYL-1'-METHYL-3-CYCLOPENTAN-4'-ONE-2-PROPENYL-3-BENZOATE;MAJOR_ISOMER
Compound Number 27A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20O4
InChI InChI=1S/C17H20O4/c1-3-15(17(2)10-14(19)9-13(17)11-18)21-16(20)12-7-5-4-6-8-12/h3-8,13,15,18H,1,9-11H2,2H3/t13-,15+,17-/m1/s1
InChIKey NUFLHLHFYCFCFU-UKPHBRMFSA-N
Literature Reference Author A.J.WOOD,D.J.HOLT,M.C.DOMINGUEZ,P.R.JENKINS
Literature Reference Citation J.ORG.CHEM.,63,8522(1998)
Literature Reference DOI 10.1021/jo981225j
Molecular Weight 288.343 g/mol
Sample ID 26861
Solvent CDCl3