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anti,anti-8,17-Epithia-1,6;10,15-bismethano[18]annulene-7,18-dione
SpectraBase Compound ID KxNCQLYl21u
InChI InChI=1S/C20H14O2S/c21-19-15-7-3-4-8-16(12-15)20(22)18-11-14-6-2-1-5-13(9-14)10-17(19)23-18/h1-8,10-11H,9,12H2/b17-10-,18-11+
InChIKey HNWCMYMRNZGQCP-ICFDZUSXSA-N
Mol Weight 318.39 g/mol
Molecular Formula C20H14O2S
Exact Mass 318.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaCslQNUqLv
Name anti,anti-8,17-Epithia-1,6;10,15-bismethano[18]annulene-7,18-dione
Comments Less than 3 mono-isotopic peaks
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Formula C20H14O2S
InChI InChI=1S/C20H14O2S/c21-19-15-7-3-4-8-16(12-15)20(22)18-11-14-6-2-1-5-13(9-14)10-17(19)23-18/h1-8,10-11H,9,12H2/b17-10-,18-11+
InChIKey HNWCMYMRNZGQCP-ICFDZUSXSA-N
Molecular Weight 318.390 g/mol
SMILES C1(\C=2S\C(C(C3=CC=CC=C1C3)=O)=C\C1=CC=CC=C(C\2)C1)=O
SPLASH splash10-014i-0009000000-6b08c8c34f37575f87d7
Source of Spectrum AT-38-8294-4
Wiley ID 854079