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(1S,2R,5R,7S,9R)-5-Propionyl-10,10-dimethyl-4-oxa-6-thiatricyclo[7.1.1.0(2,7)]undecane
SpectraBase Compound ID 3sYTjFlhiQI
InChI InChI=1S/C14H22O2S/c1-4-11(15)13-16-7-9-10-5-8(14(10,2)3)6-12(9)17-13/h8-10,12-13H,4-7H2,1-3H3/t8-,9+,10+,12+,13-/m1/s1
InChIKey CIMKUBRPECUMRT-YTCQTTRASA-N
Mol Weight 254.39 g/mol
Molecular Formula C14H22O2S
Exact Mass 254.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HDE8uv9FTh
Name (1S,2R,5R,7S,9R)-5-Propionyl-10,10-dimethyl-4-oxa-6-thiatricyclo[7.1.1.0(2,7)]undecane
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Formula C14H22O2S
InChI InChI=1S/C14H22O2S/c1-4-11(15)13-16-7-9-10-5-8(14(10,2)3)6-12(9)17-13/h8-10,12-13H,4-7H2,1-3H3/t8-,9+,10+,12+,13-/m1/s1
InChIKey CIMKUBRPECUMRT-YTCQTTRASA-N
Molecular Weight 254.388 g/mol
SMILES [C@]12([C@]3([C@](S[C@@](OC3)(C(=O)CC)[H])([H])C[C@](C1)([H])C2(C)C)[H])[H]
SPLASH splash10-0002-2900000000-0867919ad9d94b241c9f
Source of Spectrum KD-16-1840-1
Synonyms 1-[(1S,2R,5R,7S,9R)-10,10-dimethyl-4-oxa-6-thiatricyclo[7.1.1.0(2,7)]undec-5-yl]-1-propanone
Wiley ID 1637752