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3,3-Dimethyl-5-methylsulfonyloxyhep-1-en-6-yne
SpectraBase Compound ID FEt08QUXEzd
InChI InChI=1S/C10H16O3S/c1-6-9(13-14(5,11)12)8-10(3,4)7-2/h1,7,9H,2,8H2,3-5H3
InChIKey OSEHJFBQXHYJJP-UHFFFAOYSA-N
Mol Weight 216.29 g/mol
Molecular Formula C10H16O3S
Exact Mass 216.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dRsIQzh7pS
Name 3,3-Dimethyl-5-methylsulfonyloxyhep-1-en-6-yne
Alternate Name(s) Methanesulfonic acid 5,5-dimethylhept-6-en-1-yn-3-yl ester (1-ethynyl-3,3-dimethyl-pent-4-enyl) methanesulfonate 5,5-Dimethylhept-6-en-1-yn-3-yl methanesulfonate
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Formula C10H16O3S
InChI InChI=1S/C10H16O3S/c1-6-9(13-14(5,11)12)8-10(3,4)7-2/h1,7,9H,2,8H2,3-5H3
InChIKey OSEHJFBQXHYJJP-UHFFFAOYSA-N
Molecular Weight 216.295 g/mol
SMILES C(OS(=O)(=O)C)(C#C)CC(C=C)(C)C
SPLASH splash10-0a4i-9400000000-1445fbdac33d9fbea949
Source of Spectrum SO-0-1427-5
Wiley ID 865152