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5-Acetyl-5-(ethoxycarbonyl)-6-thiabicyclo[2.2.2]oct-2-ene
SpectraBase Compound ID Iwp9DB6yDgJ
InChI InChI=1S/C12H16O3S/c1-3-15-11(14)12(8(2)13)9-4-6-10(16-12)7-5-9/h4,6,9-10H,3,5,7H2,1-2H3
InChIKey SIUIIGRUXPAJAZ-UHFFFAOYSA-N
Mol Weight 240.32 g/mol
Molecular Formula C12H16O3S
Exact Mass 240.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eflTs6ikTM
Name 5-Acetyl-5-(ethoxycarbonyl)-6-thiabicyclo[2.2.2]oct-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-3-15-11(14)12(8(2)13)9-4-6-10(16-12)7-5-9/h4,6,9-10H,3,5,7H2,1-2H3
InChIKey SIUIIGRUXPAJAZ-UHFFFAOYSA-N
Molecular Weight 240.317 g/mol
SMILES C1(SC2C=CC1CC2)(C(=O)OCC)C(=O)C
SPLASH splash10-00kb-0900000000-4a44266c13a066a152db
Source of Spectrum F-48-9031-9
Synonyms Ethyl 3-acetyl-2-thiabicyclo[2.2.2]oct-5-ene-3-carboxylate
Wiley ID 1242641