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4,11-Dioxa-3,5-dimethyltetracycloundecane Cage Compound
SpectraBase Compound ID D60WKheVdke
InChI InChI=1S/C11H16O2/c1-5-9-6-3-7-8(4-6)13-11(2,12-5)10(7)9/h5-10H,3-4H2,1-2H3/t5-,6+,7-,8+,9-,10+,11?/m1/s1
InChIKey NIQITEVIMTXJGX-PNVYQUFBSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LC7ets7LzT
Name 4,11-Dioxa-3,5-dimethyltetracycloundecane Cage Compound
Comments Less than 3 mono-isotopic peaks
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Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-5-9-6-3-7-8(4-6)13-11(2,12-5)10(7)9/h5-10H,3-4H2,1-2H3/t5-,6+,7-,8+,9-,10+,11?/m1/s1
InChIKey NIQITEVIMTXJGX-PNVYQUFBSA-N
Molecular Weight 180.247 g/mol
SMILES C12([C@]3([C@@]4(C[C@]([C@]3([C@](O1)(C)[H])[H])(C[C@@]4(O2)[H])[H])[H])[H])C
SPLASH splash10-001i-0900000000-294d12c65d4fa6a30554
Source of Spectrum J-62-6372-32
Wiley ID 1176661