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3-Vinylhepta-2,6-dien-4-yn-1-yl methanesulfonate
SpectraBase Compound ID CAKJTDagHZ
InChI InChI=1S/C10H12O3S/c1-4-6-7-10(5-2)8-9-13-14(3,11)12/h4-5,8H,1-2,9H2,3H3/b10-8-
InChIKey RFMQCBPABJLGEZ-NTMALXAHSA-N
Mol Weight 212.26 g/mol
Molecular Formula C10H12O3S
Exact Mass 212.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uSLy2rKr4R
Name 3-Vinylhepta-2,6-dien-4-yn-1-yl methanesulfonate
Appearance Yellow oil
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Formula C10H12O3S
InChI InChI=1S/C10H12O3S/c1-4-6-7-10(5-2)8-9-13-14(3,11)12/h4-5,8H,1-2,9H2,3H3/b10-8-
InChIKey RFMQCBPABJLGEZ-NTMALXAHSA-N
Instrument Name Agilent HP 6890 or Waters Autospec Premier sprctrometer magnetic sector
Ionization Type EI
Literature Reference DOI 10.1002/anie.201908496
Molecular Weight 212.263 g/mol
Reported Formula C10H12O3S
SMILES C(\C(C#CC=C)=C\COS(C)(=O)=O)=C
SPLASH splash10-014i-4900000000-e4de1701a607cc3026cd
Source of Spectrum ACI-58-SM19-9
Wiley ID 1875568