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3,7-bis(Phenylsulfonyl)bicyclo[3.3.1]nona-2,7-diene

View entire compound with spectra: 1 MS (GC)

3,7-bis(Phenylsulfonyl)bicyclo[3.3.1]nona-2,7-diene
SpectraBase Compound ID 8eQ3eHELcFu
InChI InChI=1S/C21H20O4S2/c22-26(23,18-7-3-1-4-8-18)20-12-16-11-17(13-20)15-21(14-16)27(24,25)19-9-5-2-6-10-19/h1-10,12,14,16-17H,11,13,15H2
InChIKey IHXUSUVMFSYYRT-UHFFFAOYSA-N
Mol Weight 400.51 g/mol
Molecular Formula C21H20O4S2
Exact Mass 400.080301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wGEdC0h19
Name 3,7-bis(Phenylsulfonyl)bicyclo[3.3.1]nona-2,7-diene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O4S2
InChI InChI=1S/C21H20O4S2/c22-26(23,18-7-3-1-4-8-18)20-12-16-11-17(13-20)15-21(14-16)27(24,25)19-9-5-2-6-10-19/h1-10,12,14,16-17H,11,13,15H2
InChIKey IHXUSUVMFSYYRT-UHFFFAOYSA-N
Molecular Weight 400.507 g/mol
SMILES C12C=C(CC(CC(=C2)S(=O)(=O)c2ccccc2)C1)S(=O)(=O)c1ccccc1
SPLASH splash10-016r-6890000000-975f5dd4c4fb474c3b6e
Source of Spectrum U-1995-734-17
Wiley ID 766801