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Ethyl (E)-4-[trans-4',4'-bis(phenylsulfonyl)-2'-vinylcyclopentyl]but-2-enoate
SpectraBase Compound ID AjDRRxe5lvl
InChI InChI=1S/C25H28O6S2/c1-3-20-18-25(32(27,28)22-13-7-5-8-14-22,33(29,30)23-15-9-6-10-16-23)19-21(20)12-11-17-24(26)31-4-2/h3,5-11,13-17,20-21H,1,4,12,18-19H2,2H3/b17-11+/t20-,21-/m1/s1
InChIKey WPQMWSRMPFUWSO-FNTQETAMSA-N
Mol Weight 488.61 g/mol
Molecular Formula C25H28O6S2
Exact Mass 488.132731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hc31rTCFc
Name Ethyl (E)-4-[trans-4',4'-bis(phenylsulfonyl)-2'-vinylcyclopentyl]but-2-enoate
Alternate Name(s) Ethyl (2E)-4-[(1R,2S)-4,4-bis(phenylsulfonyl)-2-vinylcyclopentyl]-2-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O6S2
InChI InChI=1S/C25H28O6S2/c1-3-20-18-25(32(27,28)22-13-7-5-8-14-22,33(29,30)23-15-9-6-10-16-23)19-21(20)12-11-17-24(26)31-4-2/h3,5-11,13-17,20-21H,1,4,12,18-19H2,2H3/b17-11+/t20-,21-/m1/s1
InChIKey WPQMWSRMPFUWSO-FNTQETAMSA-N
Molecular Weight 488.613 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C[C@@](C=C)([C@@](C1)(C\C=C\C(=O)OCC)[H])[H]
SPLASH splash10-004i-6900000000-f767f50482d897033a95
Source of Spectrum H-76-1272-11
Wiley ID 1396847