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3-[(1S,6S)-5-Allyl-6-(p-tolylthio)(5,5-2H2)bicyclo[4.1,0]hept-1-yl]propyl acetate
SpectraBase Compound ID Iwldqn4ym4K
InChI InChI=1S/C22H30O2S/c1-4-7-19-8-5-13-21(14-6-15-24-18(3)23)16-22(19,21)25-20-11-9-17(2)10-12-20/h4,9-12,19H,1,5-8,13-16H2,2-3H3/t19?,21-,22-/m0/s1
InChIKey KKFHJNKCMUJELS-GFUWAVFVSA-N
Mol Weight 358.54 g/mol
Molecular Formula C22H30O2S
Exact Mass 358.196651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YorgvT9h9r
Name 3-[(1S,6S)-5-Allyl-6-(p-tolylthio)(5,5-2H2)bicyclo[4.1,0]hept-1-yl]propyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O2S
InChI InChI=1S/C22H30O2S/c1-4-7-19-8-5-13-21(14-6-15-24-18(3)23)16-22(19,21)25-20-11-9-17(2)10-12-20/h4,9-12,19H,1,5-8,13-16H2,2-3H3/t19?,21-,22-/m0/s1
InChIKey KKFHJNKCMUJELS-GFUWAVFVSA-N
Molecular Weight 358.540 g/mol
SMILES [C@]12([C@@](CCCC2CC=C)(CCCOC(=O)C)C1)Sc1ccc(cc1)C
SPLASH splash10-0059-0901000000-700168556e963a733fe3
Source of Spectrum E1-43-1864-13
Wiley ID 1553196