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cis-(S)-1-(tert-Butylsulfinyl)-1-hepten-6-yne

View entire compound with spectra: 2 MS (GC)

cis-(S)-1-(tert-Butylsulfinyl)-1-hepten-6-yne
SpectraBase Compound ID DhPYMbQl3lA
InChI InChI=1S/C11H18OS/c1-5-6-7-8-9-10-13(12)11(2,3)4/h1,9-10H,6-8H2,2-4H3/b10-9+
InChIKey NORJVLLVYBGJPH-MDZDMXLPSA-N
Mol Weight 198.32 g/mol
Molecular Formula C11H18OS
Exact Mass 198.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APleREGSR1G
Name cis-(S)-1-(tert-Butylsulfinyl)-1-hepten-6-yne
Alternate Name(s) trans-(S)-1-(tert-Butylsulfinyl)-1-hepten-6-yne (1E)-1-(tert-butylsulfinyl)-1-hepten-6-yne tert-Butyl (1E)-1-hepten-6-ynyl sulfoxide
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Formula C11H18OS
InChI InChI=1S/C11H18OS/c1-5-6-7-8-9-10-13(12)11(2,3)4/h1,9-10H,6-8H2,2-4H3/b10-9+
InChIKey NORJVLLVYBGJPH-MDZDMXLPSA-N
Molecular Weight 198.324 g/mol
SMILES C([S@](\C=C\CCCC#C)=O)(C)(C)C
SPLASH splash10-0a6r-9400000000-2336d474910c86225af2
Source of Spectrum SO-0-1893-2
Wiley ID 878674