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Methyl 4-hydroxy-6,7-(isopropylidenedioxy)-2-methyleneheptanoate isomer

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

Methyl 4-hydroxy-6,7-(isopropylidenedioxy)-2-methyleneheptanoate isomer
SpectraBase Compound ID E5num0jVgIl
InChI InChI=1S/C12H20O5/c1-8(11(14)15-4)5-9(13)6-10-7-16-12(2,3)17-10/h9-10,13H,1,5-7H2,2-4H3/t9-,10+/m1/s1
InChIKey IVIKEGJOVHFLDM-ZJUUUORDSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOd1Z7r6ryx
Name Methyl 4-hydroxy-6,7-(isopropylidenedioxy)-2-methyleneheptanoate isomer
Comments Computed using HOSE algorithm
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Exact Mass 244.131073739 u
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-8(11(14)15-4)5-9(13)6-10-7-16-12(2,3)17-10/h9-10,13H,1,5-7H2,2-4H3/t9-,10+/m1/s1
InChIKey IVIKEGJOVHFLDM-ZJUUUORDSA-N
Molecular Weight 244.287 g/mol
SMILES C(C(=O)OC)(C[C@](C[C@@]1(OC(C)(C)OC1)[H])(O)[H])=C