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(3aR,5S)-5-Methyl-7-phenylsulfonyl-2-vinyl-2,3,3a,4,5,6-hexahydro-2,3-benzofuran
SpectraBase Compound ID Ddskgvl9sAX
InChI InChI=1S/C17H20O3S/c1-3-14-11-13-9-12(2)10-16(17(13)20-14)21(18,19)15-7-5-4-6-8-15/h3-8,12-14H,1,9-11H2,2H3/t12-,13+,14?/m0/s1
InChIKey JCGMSPPHLUISRE-WLDKUNSKSA-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 Bv5YsCab6LL
Name (3aR,5S)-5-Methyl-7-phenylsulfonyl-2-vinyl-2,3,3a,4,5,6-hexahydro-2,3-benzofuran
Alternate Name(s) (3aR,5S)-5-methyl-2-vinyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-yl phenyl sulfone (3aR,5S)-5-methyl-7-(phenylsulfonyl)-2-vinyl-2,3,3a,4,5,6-hexahydro-1-benzofuran 5-Methyl-7-phenylsulfonyl-2-vinyl-2,3,3a,4,5,6-hexahydro-2,3-benzofuran
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3S
InChI InChI=1S/C17H20O3S/c1-3-14-11-13-9-12(2)10-16(17(13)20-14)21(18,19)15-7-5-4-6-8-15/h3-8,12-14H,1,9-11H2,2H3/t12-,13+,14?/m0/s1
InChIKey JCGMSPPHLUISRE-WLDKUNSKSA-N
Molecular Weight 304.404 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)=C2[C@](CC(O2)C=C)([H])C[C@@](C1)(C)[H]
SPLASH splash10-0udi-0095000000-00d7a4b08f1d4dd7eca9
Source of Spectrum QE-8-936-8
Wiley ID 1557253