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3-[(1S*,2R*)-2-ACETOXYMETHYL-2-ETHOXYCARBONYLCYCLOHEX-5-ENYL]-PROPANAL
SpectraBase Compound ID LtlkQqO2u7e
InChI InChI=1S/C15H22O5/c1-3-19-14(18)15(11-20-12(2)17)9-5-4-7-13(15)8-6-10-16/h4,7,10,13H,3,5-6,8-9,11H2,1-2H3/t13-,15+/m1/s1
InChIKey GVZHQPUKJJWEBG-HIFRSBDPSA-N
Mol Weight 282.34 g/mol
Molecular Formula C15H22O5
Exact Mass 282.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8xQGCf0yUDY
Name 3-[(1S*,2R*)-2-ACETOXYMETHYL-2-ETHOXYCARBONYLCYCLOHEX-5-ENYL]-PROPANAL
Compound Number 21
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Formula C15H22O5
InChI InChI=1S/C15H22O5/c1-3-19-14(18)15(11-20-12(2)17)9-5-4-7-13(15)8-6-10-16/h4,7,10,13H,3,5-6,8-9,11H2,1-2H3/t13-,15+/m1/s1
InChIKey GVZHQPUKJJWEBG-HIFRSBDPSA-N
Literature Reference Author L.C.BAILLIE,J.R.BEARDER,W.S.LI,J.A.SHERRINGHAM,D.A.WHITING
Literature Reference Citation J.CHEM.SOC.PERKIN-1,4047(1998)
Literature Reference DOI 10.1039/a807760f
Molecular Weight 282.337 g/mol
Solvent CDCl3
Source File Reference UWBS1373