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3-[(1S*,2R*)-2-ETHOXYCARBONYL-2-HYDROXY-METHYLCYCLOHEX-5-ENYL]-PROPANOIC-ACID
SpectraBase Compound ID HV7w6rSXDWl
InChI InChI=1S/C13H20O5/c1-2-18-12(17)13(9-14)8-4-3-5-10(13)6-7-11(15)16/h3,5,10,14H,2,4,6-9H2,1H3,(H,15,16)/t10-,13+/m1/s1
InChIKey HAIAMMXQGOSVOH-MFKMUULPSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2D2vcOPojbG
Name 3-[(1S*,2R*)-2-ETHOXYCARBONYL-2-HYDROXY-METHYLCYCLOHEX-5-ENYL]-PROPANOIC-ACID
Compound Number 16A
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Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-2-18-12(17)13(9-14)8-4-3-5-10(13)6-7-11(15)16/h3,5,10,14H,2,4,6-9H2,1H3,(H,15,16)/t10-,13+/m1/s1
InChIKey HAIAMMXQGOSVOH-MFKMUULPSA-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 256.299 g/mol
Solvent CDCl3
Source File Reference UWBS1368