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(1R*,2S*,3R*,4S*)-5-Benzyloxy-1-ethyl-3-hydroxy-2,4-dimethylpentyl acetate
SpectraBase Compound ID J5mzmgAL5Ud
InChI InChI=1S/C18H28O4/c1-5-17(22-15(4)19)14(3)18(20)13(2)11-21-12-16-9-7-6-8-10-16/h6-10,13-14,17-18,20H,5,11-12H2,1-4H3/t13-,14-,17+,18+/m0/s1
InChIKey UIEJQDDTZZGTSP-LBTBCDHLSA-N
Mol Weight 308.42 g/mol
Molecular Formula C18H28O4
Exact Mass 308.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CwMVHO6cR8t
Name (1R*,2S*,3R*,4S*)-5-Benzyloxy-1-ethyl-3-hydroxy-2,4-dimethylpentyl acetate
Comments Computed using HOSE algorithm
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Exact Mass 308.198759378 u
Formula C18H28O4
InChI InChI=1S/C18H28O4/c1-5-17(22-15(4)19)14(3)18(20)13(2)11-21-12-16-9-7-6-8-10-16/h6-10,13-14,17-18,20H,5,11-12H2,1-4H3/t13-,14-,17+,18+/m0/s1
InChIKey UIEJQDDTZZGTSP-LBTBCDHLSA-N
Molecular Weight 308.418 g/mol
SMILES [C@]([C@@]([C@](COCC=1C=CC=CC1)(C)[H])(O)[H])([C@](OC(=O)C)(CC)[H])(C)[H]