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(R)-1-{(4S,5S)-2,2-Dimethyl-5-[(E)-styryl]-1,3-dioxolan-4-yl}ethyl acetate
SpectraBase Compound ID DNjAkST7coK
InChI InChI=1S/C17H22O4/c1-12(19-13(2)18)16-15(20-17(3,4)21-16)11-10-14-8-6-5-7-9-14/h5-12,15-16H,1-4H3/b11-10+/t12-,15+,16+/m1/s1
InChIKey BGAHEYHQMQUHLC-MZIORRRGSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 44UlWghH8ue
Name (R)-1-{(4S,5S)-2,2-Dimethyl-5-[(E)-styryl]-1,3-dioxolan-4-yl}ethyl acetate
Comments Computed using HOSE algorithm
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Exact Mass 290.151809184 u
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-12(19-13(2)18)16-15(20-17(3,4)21-16)11-10-14-8-6-5-7-9-14/h5-12,15-16H,1-4H3/b11-10+/t12-,15+,16+/m1/s1
InChIKey BGAHEYHQMQUHLC-MZIORRRGSA-N
SMILES [C@@]1(OC(C)(C)O[C@]1(\C=C\C=1C=CC=CC1)[H])([C@](OC(=O)C)(C)[H])[H]