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2-{(1S,5R,6S)-3,3-Dimethyl-2,4-dioxabicyclo[3.3.0]octan-6-yl}-1-phenylethanone

View entire compound with spectra: 1 MS (GC)

2-{(1S,5R,6S)-3,3-Dimethyl-2,4-dioxabicyclo[3.3.0]octan-6-yl}-1-phenylethanone
SpectraBase Compound ID 5gFZYaJKmKe
InChI InChI=1S/C16H20O3/c1-16(2)18-14-9-8-12(15(14)19-16)10-13(17)11-6-4-3-5-7-11/h3-7,12,14-15H,8-10H2,1-2H3/t12-,14-,15+/m0/s1
InChIKey LEKHGJPNGSHYOY-AEGPPILISA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdtOvKW0krf
Name 2-{(1S,5R,6S)-3,3-Dimethyl-2,4-dioxabicyclo[3.3.0]octan-6-yl}-1-phenylethanone
Alternate Name(s) 2-[(3aR,4S,6aS)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-1-phenylethanone
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Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-16(2)18-14-9-8-12(15(14)19-16)10-13(17)11-6-4-3-5-7-11/h3-7,12,14-15H,8-10H2,1-2H3/t12-,14-,15+/m0/s1
InChIKey LEKHGJPNGSHYOY-AEGPPILISA-N
Molecular Weight 260.333 g/mol
SMILES C1(O[C@@]2([C@](CC(=O)c3ccccc3)(CC[C@@]2(O1)[H])[H])[H])(C)C
SPLASH splash10-0a4i-0920000000-49a98f2bab691a186665
Source of Spectrum KC-0-1289-22
Wiley ID 783885