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(2S,3S)-3-(2-Benzenesulfonyl-allyl)-2,6,6-trimethyl-bicyclo[3.1.1]heptane
SpectraBase Compound ID 1mxuiVQLiPL
InChI InChI=1S/C19H26O2S/c1-13(22(20,21)17-8-6-5-7-9-17)10-15-11-16-12-18(14(15)2)19(16,3)4/h5-9,14-16,18H,1,10-12H2,2-4H3/t14-,15+,16?,18?/m0/s1
InChIKey FEVNFMRSMWKBTO-LCMLCXGQSA-N
Mol Weight 318.48 g/mol
Molecular Formula C19H26O2S
Exact Mass 318.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFzLAf0noWT
Name (2S,3S)-3-(2-Benzenesulfonyl-allyl)-2,6,6-trimethyl-bicyclo[3.1.1]heptane
Alternate Name(s) 2,6,6-Trimethyl-3-[2-(phenylsulfonyl)allyl]bicyclo[3.1.1]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O2S
InChI InChI=1S/C19H26O2S/c1-13(22(20,21)17-8-6-5-7-9-17)10-15-11-16-12-18(14(15)2)19(16,3)4/h5-9,14-16,18H,1,10-12H2,2-4H3/t14-,15+,16?,18?/m0/s1
InChIKey FEVNFMRSMWKBTO-LCMLCXGQSA-N
Molecular Weight 318.475 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C[C@]1([C@@](C2CC(C2(C)C)C1)(C)[H])[H])=C
SPLASH splash10-052f-7900000000-2955b1929b458cd36b59
Source of Spectrum U1-2011-551-20a
Wiley ID 1664863