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Methyl (E)-2,2-dibutyl-4-tosyl-3-butenoate

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

Methyl (E)-2,2-dibutyl-4-tosyl-3-butenoate
SpectraBase Compound ID GdbOXXvTyZs
InChI InChI=1S/C20H30O4S/c1-5-7-13-20(14-8-6-2,19(21)24-4)15-16-25(22,23)18-11-9-17(3)10-12-18/h9-12,15-16H,5-8,13-14H2,1-4H3/b16-15+
InChIKey ZYFULCIAXXCPNA-FOCLMDBBSA-N
Mol Weight 366.52 g/mol
Molecular Formula C20H30O4S
Exact Mass 366.186481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HvnR6mjkj6Z
Name Methyl (E)-2,2-dibutyl-4-tosyl-3-butenoate
Comments Computed using HOSE algorithm
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Exact Mass 366.186480616 u
Formula C20H30O4S
InChI InChI=1S/C20H30O4S/c1-5-7-13-20(14-8-6-2,19(21)24-4)15-16-25(22,23)18-11-9-17(3)10-12-18/h9-12,15-16H,5-8,13-14H2,1-4H3/b16-15+
InChIKey ZYFULCIAXXCPNA-FOCLMDBBSA-N
Molecular Weight 366.516 g/mol
SMILES C(\C=C\S(C=1C=CC(=CC1)C)(=O)=O)(C(=O)OC)(CCCC)CCCC