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(1S,5R,7S)-5-Methyl-2,4-dioxatricyclo[5.4.0.0(1,5)]undecan-3-one
SpectraBase Compound ID Iu0n4QiqMJZ
InChI InChI=1S/C10H14O3/c1-9-6-7-4-2-3-5-10(7,9)13-8(11)12-9/h7H,2-6H2,1H3/t7-,9+,10-/m0/s1
InChIKey QBMYXZZYNGNGGS-SFGNSQDASA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PII8EpqrKG
Name (1S,5R,7S)-5-Methyl-2,4-dioxatricyclo[5.4.0.0(1,5)]undecan-3-one
Alternate Name(s) (1,5-cis,1,7-cis)-5-Methyl-2,4-dioxatricyclo[5.4.0.0(1,5)]undecan-3-one (3aR,4aS,8aS)-3a-methylhexahydro-3aH-benzo[2,3]cyclobuta[1,2-d][1,3]dioxol-2-one
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Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-9-6-7-4-2-3-5-10(7,9)13-8(11)12-9/h7H,2-6H2,1H3/t7-,9+,10-/m0/s1
InChIKey QBMYXZZYNGNGGS-SFGNSQDASA-N
Molecular Weight 182.219 g/mol
SMILES [C@@]12([C@]3(OC(O2)=O)CCCC[C@]3(C1)[H])C
SPLASH splash10-00kb-9100000000-42afef02c2c396dff839
Source of Spectrum F-52-11794-5
Wiley ID 798699