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t-4-Ethenyl-t-3-(iodomethyl)-r-2-methyl-1,1-bis(phenylsulfonyl)cyclopentane
SpectraBase Compound ID 7TYe45tTIwf
InChI InChI=1S/C21H23IO4S2/c1-3-17-14-21(16(2)20(17)15-22,27(23,24)18-10-6-4-7-11-18)28(25,26)19-12-8-5-9-13-19/h3-13,16-17,20H,1,14-15H2,2H3/t16?,17-,20-/m1/s1
InChIKey PQWQAWIEXSKQCC-HMEKMZBJSA-N
Mol Weight 530.44 g/mol
Molecular Formula C21H23IO4S2
Exact Mass 530.008247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ekpk4IGPJjC
Name t-4-Ethenyl-t-3-(iodomethyl)-r-2-methyl-1,1-bis(phenylsulfonyl)cyclopentane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23IO4S2
InChI InChI=1S/C21H23IO4S2/c1-3-17-14-21(16(2)20(17)15-22,27(23,24)18-10-6-4-7-11-18)28(25,26)19-12-8-5-9-13-19/h3-13,16-17,20H,1,14-15H2,2H3/t16?,17-,20-/m1/s1
InChIKey PQWQAWIEXSKQCC-HMEKMZBJSA-N
Molecular Weight 530.435 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C([C@@](CI)([C@@](C1)(C=C)[H])[H])C
SPLASH splash10-006t-0890000000-480e8d718759d8ed8389
Source of Spectrum H-80-2055-9
Synonyms {[(3S,4S)-3-(iodomethyl)-2-methyl-1-(phenylsulfonyl)-4-vinylcyclopentyl]sulfonyl}benzene
Wiley ID 1403264