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2-Butanone, 1-(5-ethenyl-2-cyclopenten-1-yl)-1-(phenylsulfonyl)-, [1.alpha.(1R*),5.alpha.]-(.+-.)-
SpectraBase Compound ID 8aKeBuJOUrE
InChI InChI=1S/C17H20O3S/c1-3-13-9-8-12-15(13)17(16(18)4-2)21(19,20)14-10-6-5-7-11-14/h3,5-8,10-13,15,17H,1,4,9H2,2H3/t13-,15?,17+/m0/s1
InChIKey CBIBUMMKABMFRX-BDBMTWCYSA-N
Mol Weight 304.4 g/mol
Molecular Formula C17H20O3S
Exact Mass 304.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7hqhPrMEBt
Name 2-Butanone, 1-(5-ethenyl-2-cyclopenten-1-yl)-1-(phenylsulfonyl)-, [1.alpha.(1R*),5.alpha.]-(.+-.)-
Alternate Name(s) (1R)-1-(phenylsulfonyl)-1-[(5R)-5-vinyl-2-cyclopenten-1-yl]-2-butanone cis-3-[2-oxo-1-(phenylsulfonyl)butyl]-4-vinylcyclopentene
CAS Registry Number 92937-55-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3S
InChI InChI=1S/C17H20O3S/c1-3-13-9-8-12-15(13)17(16(18)4-2)21(19,20)14-10-6-5-7-11-14/h3,5-8,10-13,15,17H,1,4,9H2,2H3/t13-,15?,17+/m0/s1
InChIKey CBIBUMMKABMFRX-BDBMTWCYSA-N
Molecular Weight 304.404 g/mol
SMILES [C@](S(=O)(=O)c1ccccc1)(C1C=CC[C@@]1(C=C)[H])(C(=O)CC)[H]
SPLASH splash10-0bvi-9700000000-20bea0dcdd467152aeef
Source of Spectrum J-49-4670-0
Wiley ID 1306430