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trans-(S)-1-(tert-Butylsulfinyl)-4,4-dimethyl-1-hepten-6-yne
SpectraBase Compound ID 6FnyPRa4p6S
InChI InChI=1S/C13H22OS/c1-7-9-13(5,6)10-8-11-15(14)12(2,3)4/h1,8,11H,9-10H2,2-6H3/b11-8+
InChIKey HBBMTNGWPBALCB-DHZHZOJOSA-N
Mol Weight 226.38 g/mol
Molecular Formula C13H22OS
Exact Mass 226.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrxdNrmGOeo
Name trans-(S)-1-(tert-Butylsulfinyl)-4,4-dimethyl-1-hepten-6-yne
Alternate Name(s) (1E)-1-(tert-butylsulfinyl)-4,4-dimethyl-1-hepten-6-yne tert-Butyl (1E)-4,4-dimethyl-1-hepten-6-ynyl sulfoxide (E)-1-[(S)-tert-butylsulfinyl]-4,4-dimethylhept-1-en-6-yne
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Formula C13H22OS
InChI InChI=1S/C13H22OS/c1-7-9-13(5,6)10-8-11-15(14)12(2,3)4/h1,8,11H,9-10H2,2-6H3/b11-8+
InChIKey HBBMTNGWPBALCB-DHZHZOJOSA-N
Molecular Weight 226.378 g/mol
SMILES C([S@](\C=C\CC(CC#C)(C)C)=O)(C)(C)C
SPLASH splash10-0a4i-9300000000-01b407a7a762e1ae3328
Source of Spectrum SO-0-1893-9
Wiley ID 878672