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(5-Methyl-2-phenyl-hex-4-enyl) 4-methylbenzenesulfonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(5-Methyl-2-phenyl-hex-4-enyl) 4-methylbenzenesulfonate
SpectraBase Compound ID 833sDgwp1Ae
InChI InChI=1S/C20H24O3S/c1-16(2)9-12-19(18-7-5-4-6-8-18)15-23-24(21,22)20-13-10-17(3)11-14-20/h4-11,13-14,19H,12,15H2,1-3H3
InChIKey LWTQSPPKDOKTAY-UHFFFAOYSA-N
Mol Weight 344.47 g/mol
Molecular Formula C20H24O3S
Exact Mass 344.144616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GkUODZcIeHj
Name (5-Methyl-2-phenyl-hex-4-enyl) 4-methylbenzenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 344.144615804 u
Formula C20H24O3S
InChI InChI=1S/C20H24O3S/c1-16(2)9-12-19(18-7-5-4-6-8-18)15-23-24(21,22)20-13-10-17(3)11-14-20/h4-11,13-14,19H,12,15H2,1-3H3
InChIKey LWTQSPPKDOKTAY-UHFFFAOYSA-N
Molecular Weight 344.469 g/mol
SMILES C(OS(C=1C=CC(=CC1)C)(=O)=O)C(CC=C(C)C)C=1C=CC=CC1