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4,11-Dioxa-5-methyl-3-oxotetracycloundecane Cage Compound
SpectraBase Compound ID 4k7JDOFNiQI
InChI InChI=1S/C10H12O3/c1-10-8-5-2-4(3-6(5)12-10)7(8)9(11)13-10/h4-8H,2-3H2,1H3/t4-,5+,6-,7+,8-,10?/m0/s1
InChIKey YEEHCKRRXONCMM-PJTQFGCKSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uOCNoRpkaz
Name 4,11-Dioxa-5-methyl-3-oxotetracycloundecane Cage Compound
Comments Less than 3 mono-isotopic peaks
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Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-10-8-5-2-4(3-6(5)12-10)7(8)9(11)13-10/h4-8H,2-3H2,1H3/t4-,5+,6-,7+,8-,10?/m0/s1
InChIKey YEEHCKRRXONCMM-PJTQFGCKSA-N
Molecular Weight 180.203 g/mol
SMILES C12([C@]3([C@@]4(C[C@]([C@]3(C(O1)=O)[H])(C[C@@]4(O2)[H])[H])[H])[H])C
SPLASH splash10-000i-0900000000-32d651f76a289dc94cfc
Source of Spectrum J-62-6372-30
Wiley ID 1176287