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cis,cis-3,5-Dibutanoyloxy-1-(methoxycarbonyl)cyclohexane

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

cis,cis-3,5-Dibutanoyloxy-1-(methoxycarbonyl)cyclohexane
SpectraBase Compound ID AGulWDTY9G
InChI InChI=1S/C16H26O6/c1-4-6-14(17)21-12-8-11(16(19)20-3)9-13(10-12)22-15(18)7-5-2/h11-13H,4-10H2,1-3H3/t11-,12+,13-
InChIKey UJXDHGUXEBBTDP-CLLJXQQHSA-N
Mol Weight 314.38 g/mol
Molecular Formula C16H26O6
Exact Mass 314.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 608I5jc8cDs
Name cis,cis-3,5-Dibutanoyloxy-1-(methoxycarbonyl)cyclohexane
Comments Computed using HOSE algorithm
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Exact Mass 314.172938551 u
Formula C16H26O6
InChI InChI=1S/C16H26O6/c1-4-6-14(17)21-12-8-11(16(19)20-3)9-13(10-12)22-15(18)7-5-2/h11-13H,4-10H2,1-3H3/t11-,12+,13-
InChIKey UJXDHGUXEBBTDP-CLLJXQQHSA-N
Molecular Weight 314.378 g/mol
SMILES [C@]1(C(=O)OC)(C[C@@](OC(=O)CCC)(C[C@](C1)(OC(=O)CCC)[H])[H])[H]