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(1S,4S,5S)-1-Methyl-6-methylene-4-(bis(phenylsulfonyl)methyl)bicyclo[3.3.0]oct-2-ene

View entire compound with spectra: 1 MS (GC)

(1S,4S,5S)-1-Methyl-6-methylene-4-(bis(phenylsulfonyl)methyl)bicyclo[3.3.0]oct-2-ene
SpectraBase Compound ID C5gcJei4hWk
InChI InChI=1S/C23H24O4S2/c1-17-13-15-23(2)16-14-20(21(17)23)22(28(24,25)18-9-5-3-6-10-18)29(26,27)19-11-7-4-8-12-19/h3-12,14,16,20-22H,1,13,15H2,2H3/t20-,21+,23-/m0/s1
InChIKey FYSMSMQBQOBYRG-XJUOHMSHSA-N
Mol Weight 428.56 g/mol
Molecular Formula C23H24O4S2
Exact Mass 428.111602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjyR264Lngh
Name (1S,4S,5S)-1-Methyl-6-methylene-4-(bis(phenylsulfonyl)methyl)bicyclo[3.3.0]oct-2-ene
Alternate Name(s) (3aS,4S,6aS)-4-[bis(phenylsulfonyl)methyl]-6a-methyl-3-methylene-1,2,3,3a,4,6a-hexahydropentalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24O4S2
InChI InChI=1S/C23H24O4S2/c1-17-13-15-23(2)16-14-20(21(17)23)22(28(24,25)18-9-5-3-6-10-18)29(26,27)19-11-7-4-8-12-19/h3-12,14,16,20-22H,1,13,15H2,2H3/t20-,21+,23-/m0/s1
InChIKey FYSMSMQBQOBYRG-XJUOHMSHSA-N
Molecular Weight 428.561 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(S(=O)(=O)c1ccccc1)[C@@]1([C@@]2([C@](CCC2=C)(C)C=C1)[H])[H]
SPLASH splash10-0a4s-9750000000-daec7a2d5c32922be9c4
Source of Spectrum C-118-7113-6
Wiley ID 759911