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(5S)-3-cetyl-5-methyl-5H-furan-2-one
SpectraBase Compound ID IdS5K6Y3sdZ
InChI InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19(2)23-21(20)22/h18-19H,3-17H2,1-2H3/t19-/m0/s1
InChIKey NCCJSLVFKCUXJL-IBGZPJMESA-N
Mol Weight 322.5 g/mol
Molecular Formula C21H38O2
Exact Mass 322.28718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYClWiD1RcM
Name (5S)-3-cetyl-5-methyl-5H-furan-2-one
Compound Number 4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H38O2
InChI InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19(2)23-21(20)22/h18-19H,3-17H2,1-2H3/t19-/m0/s1
InChIKey NCCJSLVFKCUXJL-IBGZPJMESA-N
Literature Reference Author M.LORENZO,I.BRITO,M.CUETO,L.D.CROZ,J.DARIAS
Literature Reference Citation ORG.LETTERS,8,5001(2006)
Literature Reference DOI 10.1021/ol061572c
Molecular Weight 322.532 g/mol
Sample ID 61912
Solvent CDCl3