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3-(4-nitrophenyl)sulfonylbicyclo[1.1.1]pentane
SpectraBase Compound ID H7RsiZUCxZo
InChI InChI=1S/C11H11NO4S/c13-12(14)9-1-3-10(4-2-9)17(15,16)11-5-8(6-11)7-11/h1-4,8H,5-7H2
InChIKey VRUYBCIAEJXORZ-UHFFFAOYSA-N
Mol Weight 253.27 g/mol
Molecular Formula C11H11NO4S
Exact Mass 253.040879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRVbaB8aZTD
Name 3-(4-nitrophenyl)sulfonylbicyclo[1.1.1]pentane
Appearance Colorless solid
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Formula C11H11NO4S
InChI InChI=1S/C11H11NO4S/c13-12(14)9-1-3-10(4-2-9)17(15,16)11-5-8(6-11)7-11/h1-4,8H,5-7H2
InChIKey VRUYBCIAEJXORZ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.202000097
Molecular Weight 253.272 g/mol
Reported Formula C11H11O4N(32)S
SMILES C12CC(C2)(C1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O
SPLASH splash10-014i-9000000000-4c890d649eff827e374c
Source of Spectrum QE-26-SM6-7a
Thin-Layer Chromatography Rf = 0.22 (cHex/EtOAc, 5:1)
Wiley ID 1860420