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Methyl (2-endo/exo-acetyl)bicyclo[2.2.2]oct-5-ene-3-exo/endo-thiocarboxylate
SpectraBase Compound ID 9IdHJc6Zfbu
InChI InChI=1S/C12H16O2S/c1-7(13)10-8-3-5-9(6-4-8)11(10)12(14)15-2/h3,5,8-11H,4,6H2,1-2H3
InChIKey MVJLEHFFHMRAEQ-UHFFFAOYSA-N
Mol Weight 224.32 g/mol
Molecular Formula C12H16O2S
Exact Mass 224.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwfMaKPYvfi
Name Methyl (2-endo/exo-acetyl)bicyclo[2.2.2]oct-5-ene-3-exo/endo-thiocarboxylate
Alternate Name(s) Methyl (2-endo-acetyl)bicyclo[2.2.2]oct-5-ene-3-endo-thiocarboxylate S-methyl 3-acetylbicyclo[2.2.2]oct-5-ene-2-carbothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-7(13)10-8-3-5-9(6-4-8)11(10)12(14)15-2/h3,5,8-11H,4,6H2,1-2H3
InChIKey MVJLEHFFHMRAEQ-UHFFFAOYSA-N
Molecular Weight 224.318 g/mol
SMILES C1(C(C2C=CC1CC2)C(=O)C)C(=O)SC
SPLASH splash10-0002-0900000000-1f1b4f57e3b0da51e622
Source of Spectrum QA-43-185-14
Wiley ID 862218