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3-[(1S,2R)-2-FORMYL-2-METHYLCYCLOHEX-5-ENYL]-PROPIONIC_ACID
SpectraBase Compound ID 8DjDELlkJIk
InChI InChI=1S/C11H16O3/c1-11(8-12)7-3-2-4-9(11)5-6-10(13)14/h2,4,8-9H,3,5-7H2,1H3,(H,13,14)/t9-,11+/m1/s1
InChIKey WHPJLYGRUMWESW-KOLCDFICSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KF8uJiObqQW
Name 3-[(1S,2R)-2-FORMYL-2-METHYLCYCLOHEX-5-ENYL]-PROPIONIC_ACID
Compound Number 14A
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Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-11(8-12)7-3-2-4-9(11)5-6-10(13)14/h2,4,8-9H,3,5-7H2,1H3,(H,13,14)/t9-,11+/m1/s1
InChIKey WHPJLYGRUMWESW-KOLCDFICSA-N
Literature Reference Author L.C.BAILLIE,A.BATSANOV,J.R.BEARDER,D.A.WHITING
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3471(1998)
Literature Reference DOI 10.1039/a804664f
Molecular Weight 196.246 g/mol
Solvent CDCl3
Source File Reference UWBS748