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10-Oxapentacyclo[6.3.1.1(3,6).0(2,7).0(9,11)]tridecane

View entire compound with spectra: 1 NMR, and 1 FTIR

10-Oxapentacyclo[6.3.1.1(3,6).0(2,7).0(9,11)]tridecane
SpectraBase Compound ID 6rDearSoGpD
InChI InChI=1S/C12H16O/c1-2-6-3-5(1)9-7-4-8(10(6)9)12-11(7)13-12/h5-12H,1-4H2/t5-,6+,7-,8+,9-,10+,11-,12+
InChIKey JLXBGRFSGLTNSX-SERWXMPOSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J20Tx89hbLZ
Name 10-Oxapentacyclo[6.3.1.1(3,6).0(2,7).0(9,11)]tridecane
Comments Computed using HOSE algorithm
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Exact Mass 176.120115134 u
Formula C12H16O
InChI InChI=1S/C12H16O/c1-2-6-3-5(1)9-7-4-8(10(6)9)12-11(7)13-12/h5-12H,1-4H2/t5-,6+,7-,8+,9-,10+,11-,12+
InChIKey JLXBGRFSGLTNSX-SERWXMPOSA-N
Molecular Weight 176.259 g/mol
SMILES [C@@]12([C@@]([C@]3(CC[C@@]2(C3)[H])[H])([C@]2([C@]3([C@@]([C@@]1(C2)[H])(O3)[H])[H])[H])[H])[H]