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(1R,2R,5S,6S,7S,8S,9R)-5-Iodomethyl-8,9-isopropylidenedioxy-4-oxatricyclo[5.2.1.0(2,6)]decan-3-one
SpectraBase Compound ID IJuc2aH8SYb
InChI InChI=1S/C13H17IO4/c1-13(2)17-10-5-3-6(11(10)18-13)9-8(5)7(4-14)16-12(9)15/h5-11H,3-4H2,1-2H3/t5-,6+,7+,8+,9+,10-,11+/m0/s1
InChIKey RYDTZIFAGUVKIZ-YGWHWJNPSA-N
Mol Weight 364.18 g/mol
Molecular Formula C13H17IO4
Exact Mass 364.017154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnQz2MUNh15
Name (1R,2R,5S,6S,7S,8S,9R)-5-Iodomethyl-8,9-isopropylidenedioxy-4-oxatricyclo[5.2.1.0(2,6)]decan-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H17IO4
InChI InChI=1S/C13H17IO4/c1-13(2)17-10-5-3-6(11(10)18-13)9-8(5)7(4-14)16-12(9)15/h5-11H,3-4H2,1-2H3/t5-,6+,7+,8+,9+,10-,11+/m0/s1
InChIKey RYDTZIFAGUVKIZ-YGWHWJNPSA-N
Molecular Weight 364.179 g/mol
SMILES [C@]12(C(O[C@@]([C@]2([C@]2([H])C[C@]1([C@@]1([C@]2(OC(O1)(C)C)[H])[H])[H])[H])(CI)[H])=O)[H]
SPLASH splash10-0002-1009000000-a5288cb625c8140d0bbd
Source of Spectrum QC-4-679-32
Synonyms (1S,2S,6R,7R,8R,11S,12S)-11-(iodomethyl)-4,4-dimethyl-3,5,10-trioxatetracyclo[5.5.1.0(2,6).0(8,12)]tridecan-9-one
Wiley ID 883182