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t-Butyl (3R*,5S*,6E)-7-Phenyl-3,5-isopropylidenedioxy-6-heptenoate
SpectraBase Compound ID 3RrvehvfDgv
InChI InChI=1S/C20H28O4/c1-19(2,3)24-18(21)14-17-13-16(22-20(4,5)23-17)12-11-15-9-7-6-8-10-15/h6-12,16-17H,13-14H2,1-5H3/b12-11+/t16-,17-/m1/s1
InChIKey FHYDIICPTOWBRI-CSLLIFPHSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrQKacHc6PI
Name t-Butyl (3R*,5S*,6E)-7-Phenyl-3,5-isopropylidenedioxy-6-heptenoate
Alternate Name(s) t-Butyl (3S*,5R*,6E)-7-Phenyl-3,5-isopropylidenedioxy-6-heptenoate tert-Butyl {(4R,6S)-2,2-dimethyl-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl}acetate
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Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-19(2,3)24-18(21)14-17-13-16(22-20(4,5)23-17)12-11-15-9-7-6-8-10-15/h6-12,16-17H,13-14H2,1-5H3/b12-11+/t16-,17-/m1/s1
InChIKey FHYDIICPTOWBRI-CSLLIFPHSA-N
Molecular Weight 332.440 g/mol
SMILES C1(O[C@@](CC(OC(C)(C)C)=O)(C[C@@](\C=C\c2ccccc2)(O1)[H])[H])(C)C
SPLASH splash10-0a4i-9200000000-82797e455189819168f6
Source of Spectrum AJ-68-2654-2
Wiley ID 773409