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1-(2-acetyl-3-thiabicyclo[2.2.2]oct-5-en-2-yl)ethanone
SpectraBase Compound ID Fd3QtTS30Kn
InChI InChI=1S/C11H14O2S/c1-7(12)11(8(2)13)9-3-5-10(14-11)6-4-9/h3,5,9-10H,4,6H2,1-2H3
InChIKey BMZDIFHZUFXGIT-UHFFFAOYSA-N
Mol Weight 210.29 g/mol
Molecular Formula C11H14O2S
Exact Mass 210.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3K6ka2ClFOG
Name 1-(2-acetyl-3-thiabicyclo[2.2.2]oct-5-en-2-yl)ethanone
Alternate Name(s) 1-(2-Ethanoyl-3-thiabicyclo[2.2.2]oct-5-en-2-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2S
InChI InChI=1S/C11H14O2S/c1-7(12)11(8(2)13)9-3-5-10(14-11)6-4-9/h3,5,9-10H,4,6H2,1-2H3
InChIKey BMZDIFHZUFXGIT-UHFFFAOYSA-N
Molecular Weight 210.291 g/mol
SMILES C1(SC2C=CC1CC2)(C(=O)C)C(=O)C
SPLASH splash10-014i-1910000000-c3d4c1b91ecac0528c20
Source of Spectrum F-48-9031-9
Wiley ID 1208841