John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=G9qJw0ALaYH SpectraBase Spectrum ID=2v8WrYXBlVY

(accessed ).
(4S,6R)-4-HYDROXY-2,2,6-TRIMETHYL-CYCLOHEXANONE
SpectraBase Compound ID G9qJw0ALaYH
InChI InChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6-7,10H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKey CSPVUHYZUZZRGF-NKWVEPMBSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2v8WrYXBlVY
Name (4S,6R)-4-HYDROXY-2,2,6-TRIMETHYLCYClOHEXANONE
Compound Number -(-)-3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6-7,10H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKey CSPVUHYZUZZRGF-NKWVEPMBSA-N
Literature Reference Author J.BUSCH,Y.GRETHER,D.OCHS,U.SEQUIN
Literature Reference Citation J.NAT.PROD.,61,591(1998)
Literature Reference DOI 10.1021/np970517x
Molecular Weight 156.225 g/mol
Solvent CDCl3
Source File Reference UWMZ410
SpectraBase Batch ID 1Z4ACraR4Zu