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(2S*,3S*,4S*,5R*)-3-Acetoxy-4-(phenylthio)tricyclo-[4.2.1.0(2,5)]non-7-ene
SpectraBase Compound ID CxJGVoTxB5M
InChI InChI=1S/C17H18O2S/c1-10(18)19-16-14-11-7-8-12(9-11)15(14)17(16)20-13-5-3-2-4-6-13/h2-8,11-12,14-17H,9H2,1H3/t11?,12?,14-,15+,16-,17-/m0/s1
InChIKey AYJSCXMRQNWDLJ-MIWICGEBSA-N
Mol Weight 286.39 g/mol
Molecular Formula C17H18O2S
Exact Mass 286.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLIjS2Jfkou
Name (2S*,3S*,4S*,5R*)-3-Acetoxy-4-(phenylthio)tricyclo-[4.2.1.0(2,5)]non-7-ene
CAS Registry Number 67737-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O2S
InChI InChI=1S/C17H18O2S/c1-10(18)19-16-14-11-7-8-12(9-11)15(14)17(16)20-13-5-3-2-4-6-13/h2-8,11-12,14-17H,9H2,1H3/t11?,12?,14-,15+,16-,17-/m0/s1
InChIKey AYJSCXMRQNWDLJ-MIWICGEBSA-N
Molecular Weight 286.389 g/mol
SMILES [C@]12([C@@](C3CC2C=C3)([H])[C@@]([C@]1(Sc1ccccc1)[H])(OC(=O)C)[H])[H]
SPLASH splash10-0006-9500000000-426468ceb1f8bfb425d7
Source of Spectrum J-43-4562-0
Synonyms (2S,3S,4S,5R)-4-(phenylsulfanyl)tricyclo[4.2.1.0(2,5)]non-7-en-3-yl acetate
Wiley ID 1289957