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cis-1,9,12-Trioxadispiro[4.2.4.2]tetradecan-2-on, 6-carbomethoxy-
SpectraBase Compound ID BlgO8x377R3
InChI InChI=1S/C11H18O4.C2H4O2/c12-10(13)2-1-9-3-5-11(6-4-9)14-7-8-15-11;1-4-2-3/h9H,1-8H2,(H,12,13);2H,1H3
InChIKey JQRLOBPIDSZFAH-UHFFFAOYSA-N
Mol Weight 274.31 g/mol
Molecular Formula C13H22O6
Exact Mass 274.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HETAlMSjJ93
Name cis-1,9,12-Trioxadispiro[4.2.4.2]tetradecan-2-on, 6-carbomethoxy-
Comments Computed using HOSE algorithm
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Exact Mass 274.141638422 u
Formula C13H22O6
InChI InChI=1S/C11H18O4.C2H4O2/c12-10(13)2-1-9-3-5-11(6-4-9)14-7-8-15-11;1-4-2-3/h9H,1-8H2,(H,12,13);2H,1H3
InChIKey JQRLOBPIDSZFAH-UHFFFAOYSA-N
Molecular Weight 274.313 g/mol
Nominal Mass 274 u
SMILES C(=O)OC.OC(=O)CCC1CCC2(OCCO2)CC1