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(S)-5-HYDROXY-5-(4-METHOXYBENZYLOXYMETHYL)-HEPTAN-3-ONE

View entire compound with spectra: 1 NMR

(S)-5-HYDROXY-5-(4-METHOXYBENZYLOXYMETHYL)-HEPTAN-3-ONE
SpectraBase Compound ID 6rsCuhL49Bb
InChI InChI=1S/C16H24O4/c1-4-14(17)10-16(18,5-2)12-20-11-13-6-8-15(19-3)9-7-13/h6-9,18H,4-5,10-12H2,1-3H3/t16-/m1/s1
InChIKey HZSGDILPXZNYQR-MRXNPFEDSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID cn9Bf1VgCC
Name (S)-5-HYDROXY-5-(4-METHOXYBENZYLOXYMETHYL)-HEPTAN-3-ONE
Compound Number S-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-4-14(17)10-16(18,5-2)12-20-11-13-6-8-15(19-3)9-7-13/h6-9,18H,4-5,10-12H2,1-3H3/t16-/m1/s1
InChIKey HZSGDILPXZNYQR-MRXNPFEDSA-N
Literature Reference Author M.F.SEMMELHACK,R.J.HOOLEY,C.M.KRAML
Literature Reference Citation ORG.LETTERS,8,5203(2006)
Literature Reference DOI 10.1021/ol0618656
Molecular Weight 280.364 g/mol
Sample ID 61861
Solvent CDCl3