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1-Methylthio-2,3-(bis-endo-diacetyl)bicyclo[2.2.1]hept-5-ene
SpectraBase Compound ID 3nVheLeNADa
InChI InChI=1S/C12H16O2S/c1-7(13)10-9-4-5-12(6-9,15-3)11(10)8(2)14/h4-5,9-11H,6H2,1-3H3/t9-,10-,11+,12-/m0/s1
InChIKey PXMQAXARRMASLB-YFKTTZPYSA-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 3NyMc2ZUVux
Name 1-Methylthio-2,3-(bis-endo-diacetyl)bicyclo[2.2.1]hept-5-ene
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-7(13)10-9-4-5-12(6-9,15-3)11(10)8(2)14/h4-5,9-11H,6H2,1-3H3/t9-,10-,11+,12-/m0/s1
InChIKey PXMQAXARRMASLB-YFKTTZPYSA-N
Molecular Weight 224.318 g/mol
SMILES [C@]12([C@@]([C@@](C(=O)C)([C@](C2)(C=C1)[H])[H])(C(=O)C)[H])SC
SPLASH splash10-001i-0950000000-5545abd04fa3d25e9d15
Source of Spectrum QA-43-294-11
Wiley ID 862286