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(3S*,3aS*,6aR*)-1-tert-Butyl-3-[1-(phenylthio)ethenyl]hexahydro-1H-cyclopent[c]isoxazole
SpectraBase Compound ID EOQUzZUrb0B
InChI InChI=1S/C18H25NOS/c1-13(21-14-9-6-5-7-10-14)17-15-11-8-12-16(15)19(20-17)18(2,3)4/h5-7,9-10,15-17H,1,8,11-12H2,2-4H3/t15-,16+,17+/m0/s1
InChIKey OMJAQLLYBKIOAC-GVDBMIGSSA-N
Mol Weight 303.46 g/mol
Molecular Formula C18H25NOS
Exact Mass 303.165686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMOzLsgSGuf
Name (3S*,3aS*,6aR*)-1-tert-Butyl-3-[1-(phenylthio)ethenyl]hexahydro-1H-cyclopent[c]isoxazole
Alternate Name(s) (3S,3aS,6aR)-1-tert-butyl-3-[1-(phenylsulfanyl)vinyl]hexahydro-1H-cyclopenta[c]isoxazole 1-[(3S,3aS,6aR)-1-tert-butylhexahydro-1H-cyclopenta[c]isoxazol-3-yl]vinyl phenyl sulfide
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Formula C18H25NOS
InChI InChI=1S/C18H25NOS/c1-13(21-14-9-6-5-7-10-14)17-15-11-8-12-16(15)19(20-17)18(2,3)4/h5-7,9-10,15-17H,1,8,11-12H2,2-4H3/t15-,16+,17+/m0/s1
InChIKey OMJAQLLYBKIOAC-GVDBMIGSSA-N
Molecular Weight 303.464 g/mol
SMILES [C@]1(ON([C@]2([C@@]1(CCC2)[H])[H])C(C)(C)C)(C(Sc1ccccc1)=C)[H]
SPLASH splash10-000i-3094000000-aff32dca5a2f6f7072af
Source of Spectrum QA-45-168-7
Wiley ID 862726