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(1S,2E,6E,9S,11S)-2,6-Dimethyl-9,11-di(prop-1-en-2-yl)cyclododeca-2,6-dien-1-yl 2,2,2-trifluoroacetate
SpectraBase Compound ID IEzySCI9kqL
InChI InChI=1S/C22H31F3O2/c1-14(2)18-11-10-16(5)8-7-9-17(6)20(13-19(12-18)15(3)4)27-21(26)22(23,24)25/h9-10,18-20H,1,3,7-8,11-13H2,2,4-6H3/b16-10+,17-9+/t18-,19-,20-/m0/s1
InChIKey JPPMUBKRPFABHF-COXNFXLSSA-N
Mol Weight 384.48 g/mol
Molecular Formula C22H31F3O2
Exact Mass 384.227615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbzBEDeebKt
Name (1S,2E,6E,9S,11S)-2,6-Dimethyl-9,11-di(prop-1-en-2-yl)cyclododeca-2,6-dien-1-yl 2,2,2-trifluoroacetate
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Formula C22H31F3O2
InChI InChI=1S/C22H31F3O2/c1-14(2)18-11-10-16(5)8-7-9-17(6)20(13-19(12-18)15(3)4)27-21(26)22(23,24)25/h9-10,18-20H,1,3,7-8,11-13H2,2,4-6H3/b16-10+,17-9+/t18-,19-,20-/m0/s1
InChIKey JPPMUBKRPFABHF-COXNFXLSSA-N
Literature Reference DOI 10.1002/anie.201205143
Molecular Weight 384.483 g/mol
SMILES [C@@]1(C[C@](C(=C)C)(C[C@@](\C(=C\CC\C(C)=C\C1)C)(OC(C(F)(F)F)=O)[H])[H])(C(=C)C)[H]
SPLASH splash10-0aou-7920000000-3331ebc8641eaab48a0d
Source of Spectrum ACI-51-SM21-19
Wiley ID 1780697