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cis-anti-cis-10-Methyl-2,12-dioxatetracyclo[6.5.0.0(3,7).0(1,10)]tridecan-11-one isomer
SpectraBase Compound ID 9UAjuXvFcPy
InChI InChI=1S/C12H16O3/c1-11-5-8-7-3-2-4-9(7)15-12(8,11)6-14-10(11)13/h7-9H,2-6H2,1H3/t7-,8+,9-,11+,12-/m0/s1
InChIKey PPHPBKVOXZPVSU-JCRMPLGGSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQ1thYWEBkj
Name cis-anti-cis-10-Methyl-2,12-dioxatetracyclo[6.5.0.0(3,7).0(1,10)]tridecan-11-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-11-5-8-7-3-2-4-9(7)15-12(8,11)6-14-10(11)13/h7-9H,2-6H2,1H3/t7-,8+,9-,11+,12-/m0/s1
InChIKey PPHPBKVOXZPVSU-JCRMPLGGSA-N
Molecular Weight 208.257 g/mol
SMILES [C@@]123[C@](C(=O)OC3)(C)C[C@@]1([C@@]1(CCC[C@@]1(O2)[H])[H])[H]
SPLASH splash10-06fr-9710000000-a922a305f5db74174b51
Source of Spectrum K1-2004-4592-34
Synonyms cis-syn-cis-10-Methyl-2,12-dioxatetracyclo[6.5.0.0(3,7).0(1,10)]tridecan-11-one (3aS,4aR,4bS,7aS,8aS)-3a-methyloctahydro-3H-cyclopenta[b]furo[3',4':2,3]cyclobuta[1,2-d]furan-3-one
Wiley ID 1561875