John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=12xWax5to5u SpectraBase Spectrum ID=HwoKxR9Se7S

(accessed ).
(5S)-4-BROMO-3-METHYL-5-[(1'S,3'S,5'S)-1,3,5-TRIMETHYLOCTYL]-5H-FURAN-2-ONE
SpectraBase Compound ID 12xWax5to5u
InChI InChI=1S/C16H27BrO2/c1-6-7-10(2)8-11(3)9-12(4)15-14(17)13(5)16(18)19-15/h10-12,15H,6-9H2,1-5H3/t10-,11+,12+,15+/m1/s1
InChIKey UYOYHAROFCXBLC-YXMPFFBPSA-N
Mol Weight 331.29 g/mol
Molecular Formula C16H27BrO2
Exact Mass 330.119441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HwoKxR9Se7S
Name (5S)-4-BROMO-3-METHYL-5-[(1'S,3'S,5'S)-1,3,5-TRIMETHYLOCTYL]-5H-FURAN-2-ONE
Compound Number 26
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H27BrO2
InChI InChI=1S/C16H27BrO2/c1-6-7-10(2)8-11(3)9-12(4)15-14(17)13(5)16(18)19-15/h10-12,15H,6-9H2,1-5H3/t10-,11+,12+,15+/m1/s1
InChIKey UYOYHAROFCXBLC-YXMPFFBPSA-N
Literature Reference Author D.R.WILLIAMS,A.L.NOLD,R.J.MULLINS
Literature Reference Citation J.ORG.CHEM.,69,5374(2004)
Literature Reference DOI 10.1021/jo049567e
Molecular Weight 331.293 g/mol
Solvent CDCl3
Source File Reference UWVN22123
SpectraBase Batch ID Bc03kg5jkTa