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(2R*,4R*,5R*,6R*)-5,7-Diacetoxy-2,4,6-trimethylheptanal
SpectraBase Compound ID L0E52Od8bKe
InChI InChI=1S/C14H24O5/c1-9(7-15)6-10(2)14(19-13(5)17)11(3)8-18-12(4)16/h7,9-11,14H,6,8H2,1-5H3/t9-,10-,11-,14-/m1/s1
InChIKey WPMYVOXYFBDFHO-ZHSDAYTOSA-N
Mol Weight 272.34 g/mol
Molecular Formula C14H24O5
Exact Mass 272.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EAWrBZQAW1r
Name (2R*,4R*,5R*,6R*)-5,7-Diacetoxy-2,4,6-trimethylheptanal
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.162373868 u
Formula C14H24O5
InChI InChI=1S/C14H24O5/c1-9(7-15)6-10(2)14(19-13(5)17)11(3)8-18-12(4)16/h7,9-11,14H,6,8H2,1-5H3/t9-,10-,11-,14-/m1/s1
InChIKey WPMYVOXYFBDFHO-ZHSDAYTOSA-N
Molecular Weight 272.341 g/mol
SMILES [C@](OC(=O)C)([C@@](C[C@](C=O)(C)[H])(C)[H])([C@@](COC(=O)C)(C)[H])[H]