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4-(2-Oxocyclopentyl)-1-butenyl Phenyl Sulfone Ethylene Ketal
SpectraBase Compound ID FARHsKdv3yc
InChI InChI=1S/C17H22O4S/c18-22(19,16-9-2-1-3-10-16)14-5-4-7-15-8-6-11-17(15)20-12-13-21-17/h1-3,5,9-10,14-15H,4,6-8,11-13H2/b14-5+
InChIKey RWKVFCTWHZEONL-LHHJGKSTSA-N
Mol Weight 322.42 g/mol
Molecular Formula C17H22O4S
Exact Mass 322.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1q26VP8xiVB
Name 4-(2-Oxocyclopentyl)-1-butenyl Phenyl Sulfone Ethylene Ketal
Alternate Name(s) (1E)-4-(1,4-dioxaspiro[4.4]non-6-yl)-1-butenyl phenyl sulfone 6-[(3E)-4-(phenylsulfonyl)-3-butenyl]-1,4-dioxaspiro[4.4]nonane
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Formula C17H22O4S
InChI InChI=1S/C17H22O4S/c18-22(19,16-9-2-1-3-10-16)14-5-4-7-15-8-6-11-17(15)20-12-13-21-17/h1-3,5,9-10,14-15H,4,6-8,11-13H2/b14-5+
InChIKey RWKVFCTWHZEONL-LHHJGKSTSA-N
Molecular Weight 322.419 g/mol
SMILES C(\C=C\S(=O)(=O)c1ccccc1)CC1C2(OCCO2)CCC1
SPLASH splash10-00dm-5609000000-8bac805d95aa3aa7f8c0
Source of Spectrum J-59-1440-0
Wiley ID 1321583