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(4S,5S,8S,10R,E)-10-Methyl-2-oxo-3,4,5,8,9,10-hexahydro-2H-oxecine-4,5,8-triyl triacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

(4S,5S,8S,10R,E)-10-Methyl-2-oxo-3,4,5,8,9,10-hexahydro-2H-oxecine-4,5,8-triyl triacetate
SpectraBase Compound ID JavKTqjRne2
InChI InChI=1S/C16H22O8/c1-9-7-13(22-10(2)17)5-6-14(23-11(3)18)15(24-12(4)19)8-16(20)21-9/h5-6,9,13-15H,7-8H2,1-4H3/b6-5+/t9-,13-,14+,15+/m1/s1
InChIKey NMFHCBJHTUULQA-FJSFTTLISA-N
Mol Weight 342.34 g/mol
Molecular Formula C16H22O8
Exact Mass 342.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXs399i7BbP
Name (4S,5S,8S,10R,E)-10-Methyl-2-oxo-3,4,5,8,9,10-hexahydro-2H-oxecine-4,5,8-triyl triacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.131467660 u
Formula C16H22O8
InChI InChI=1S/C16H22O8/c1-9-7-13(22-10(2)17)5-6-14(23-11(3)18)15(24-12(4)19)8-16(20)21-9/h5-6,9,13-15H,7-8H2,1-4H3/b6-5+/t9-,13-,14+,15+/m1/s1
InChIKey NMFHCBJHTUULQA-FJSFTTLISA-N
Molecular Weight 342.344 g/mol
SMILES C1[C@@](\C=C\[C@@]([C@](CC(O[C@@]1(C)[H])=O)(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H]