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Nona-3,6-dien-1-yl p-toluenesulfonate

View entire compound with spectra: 1 MS (GC)

Nona-3,6-dien-1-yl p-toluenesulfonate
SpectraBase Compound ID 8K0jeUDhjiS
InChI InChI=1S/C16H22O3S/c1-3-4-5-6-7-8-9-14-19-20(17,18)16-12-10-15(2)11-13-16/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3/b5-4+,8-7+
InChIKey MZYCRMXDQHZTBX-AOSYACOCSA-N
Mol Weight 294.41 g/mol
Molecular Formula C16H22O3S
Exact Mass 294.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HaJTfV5qhjd
Name Nona-3,6-dien-1-yl p-toluenesulfonate
Alternate Name(s) (3E,6E)-3,6-nonadienyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid[(3E,6E)-nona-3,6-dienyl]ester [(3E,6E)-nona-3,6-dienyl]4-methylbenzenesulfonate [(3E,6E)-nona-3,6-dienyl] 4-methylbenzenesulfonate
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Formula C16H22O3S
InChI InChI=1S/C16H22O3S/c1-3-4-5-6-7-8-9-14-19-20(17,18)16-12-10-15(2)11-13-16/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3/b5-4+,8-7+
InChIKey MZYCRMXDQHZTBX-AOSYACOCSA-N
Molecular Weight 294.409 g/mol
SMILES c1(ccc(cc1)C)S(=O)(=O)OCC\C=C\C\C=C\CC
SPLASH splash10-052f-9300000000-34c832b3252f2ac86290
Source of Spectrum B-55-651-14
Wiley ID 1517026