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3-(4-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane
SpectraBase Compound ID 656nNXBxo2o
InChI InChI=1S/C12H14O3S/c1-15-10-2-4-11(5-3-10)16(13,14)12-6-9(7-12)8-12/h2-5,9H,6-8H2,1H3
InChIKey GMFHWPBZPSAKPQ-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DccMRRZk1Kk
Name 3-(4-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane
Appearance Pale brown oil
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Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-15-10-2-4-11(5-3-10)16(13,14)12-6-9(7-12)8-12/h2-5,9H,6-8H2,1H3
InChIKey GMFHWPBZPSAKPQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.202000097
Molecular Weight 238.301 g/mol
Reported Formula C12H14O3(32)S
SMILES C12CC(C2)(C1)S(c1ccc(cc1)OC)(=O)=O
SPLASH splash10-0aor-3900000000-14e7f422b6e55d85e327
Source of Spectrum QE-26-SM9-7f
Thin-Layer Chromatography Rf = 0.21 (cHex/EtOAc, 5:1)
Wiley ID 1860423