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(1'R,2'R)-4-(2'-hydroxy-2',6',6'-trimethyl-4'-oxocyclohexylidene)but-3-en-2-one
SpectraBase Compound ID 25rT2tV3cxf
InChI InChI=1S/C13H18O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5,16H,7-8H2,1-4H3/t6?,13-/m1/s1
InChIKey OLUPLMXNPUIBTD-CHDNKPGVSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LqFK6N3HnF4
Name (1'R,2'R)-4-(2'-HYDROXY-2',6',6'-TRIMETHYL-4'-OXOCYCLOHEXYLIDENE)-BUT-3-EN-2-ONE
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5,16H,7-8H2,1-4H3/t6?,13-/m1/s1
InChIKey OLUPLMXNPUIBTD-CHDNKPGVSA-N
Literature Reference Author A.BAUMELER,W.BRADE,A.HAAG,C.H.EUGSTER
Literature Reference Citation HELV.CHIM.ACTA,73,700(1990)
Literature Reference DOI 10.1002/hlca.19900730319
Molecular Weight 222.284 g/mol
Solvent CDCl3
Source File Reference UWCS9855