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Dimethyl 2,6-dioxabicyclo[3.3.0]octan-3,7-diacetate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Dimethyl 2,6-dioxabicyclo[3.3.0]octan-3,7-diacetate
SpectraBase Compound ID 6RANgSeCV0D
InChI InChI=1S/C12H18O6/c1-15-11(13)5-7-3-9-10(17-7)4-8(18-9)6-12(14)16-2/h7-10H,3-6H2,1-2H3/t7-,8+,9-,10-/m0/s1
InChIKey YBEQZAJQHIJAJA-JXUBOQSCSA-N
Mol Weight 258.27 g/mol
Molecular Formula C12H18O6
Exact Mass 258.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7O4D9dg2CBl
Name Dimethyl 2,6-dioxabicyclo[3.3.0]octan-3,7-diacetate
Comments Computed using HOSE algorithm
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Exact Mass 258.110338294 u
Formula C12H18O6
InChI InChI=1S/C12H18O6/c1-15-11(13)5-7-3-9-10(17-7)4-8(18-9)6-12(14)16-2/h7-10H,3-6H2,1-2H3/t7-,8+,9-,10-/m0/s1
InChIKey YBEQZAJQHIJAJA-JXUBOQSCSA-N
Molecular Weight 258.270 g/mol
SMILES [C@@]12([C@@](O[C@](C2)(CC(=O)OC)[H])(C[C@](O1)(CC(=O)OC)[H])[H])[H]