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(3S,4S)-4-HYDROXY-3-METHYLHEXAN-2-ONE
SpectraBase Compound ID 4VFr94k53we
InChI InChI=1S/C7H14O2/c1-4-7(9)5(2)6(3)8/h5,7,9H,4H2,1-3H3/t5-,7+/m1/s1
InChIKey KOFQZZHOSWGVHP-VDTYLAMSSA-N
Mol Weight 130.19 g/mol
Molecular Formula C7H14O2
Exact Mass 130.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQBhbEsSThW
Name (3S,4S)-4-HYDROXY-3-METHYLHEXAN-2-ONE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H14O2
InChI InChI=1S/C7H14O2/c1-4-7(9)5(2)6(3)8/h5,7,9H,4H2,1-3H3/t5-,7+/m1/s1
InChIKey KOFQZZHOSWGVHP-VDTYLAMSSA-N
Literature Reference Author W.OPPOLZER,I.RODRIGUEZ
Literature Reference Citation HELV.CHIM.ACTA,76,1282(1993)
Literature Reference DOI 10.1002/hlca.19930760315
Molecular Weight 130.187 g/mol
Solvent CDCl3
Source File Reference UWRK1305