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1-(BUT-3-ENYL)-2-CHLORO-4-ENDO-ISOPROPYL-7-METHYL-4-EXO-(2,2,2-TRIFLUOROETHOXY)-8-OXABICYCLO-[3.2.1]-OCT-6-EN-3-ONE
SpectraBase Compound ID 8ydtyJ8bqYG
InChI InChI=1S/C17H22ClF3O3/c1-5-6-7-15-11(4)8-12(24-15)17(10(2)3,14(22)13(15)18)23-9-16(19,20)21/h5,8,10,12-13H,1,6-7,9H2,2-4H3/t12-,13+,15+,17-/m0/s1
InChIKey SKSGCXMRNUUGGL-SHFYGJNESA-N
Mol Weight 366.81 g/mol
Molecular Formula C17H22ClF3O3
Exact Mass 366.120957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QwbuFLxIN4
Name (1S,2S,4S,5R)-5-but-3-enyl-4-chloranyl-6-methyl-2-propan-2-yl-2-[2,2,2-tris(fluoranyl)ethoxy]-8-oxabicyclo[3.2.1]oct-6-en-3-one
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Formula C17H22ClF3O3
InChI InChI=1S/C17H22ClF3O3/c1-5-6-7-15-11(4)8-12(24-15)17(10(2)3,14(22)13(15)18)23-9-16(19,20)21/h5,8,10,12-13H,1,6-7,9H2,2-4H3/t12-,13+,15+,17-/m0/s1
InChIKey SKSGCXMRNUUGGL-SHFYGJNESA-N
Molecular Weight 366.808 g/mol
SMILES C1([C@]([C@@]2(C=C([C@]([C@@]1(Cl)[H])(O2)CCC=C)C)[H])(OCC(F)(F)F)C(C)C)=O
SPLASH splash10-0uds-9701000000-b8b4cf69304806c74461
Source of Spectrum K1-0-2170-22
Synonyms (1S,2S,4S,5R)-5-but-3-enyl-4-chloro-2-isopropyl-6-methyl-2-(2,2,2-trifluoroethoxy)-8-oxabicyclo[3.2.1]oct-6-en-3-one (1S,2S,4S,5R)-5-but-3-enyl-4-chloro-6-methyl-2-propan-2-yl-2-(2,2,2-trifluoroethoxy)-8-oxabicyclo[3.2.1]oct-6-en-3-one
Wiley ID 1588807