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Benzene, [[1-(3-methyl-2-butenyl)-1-octenyl]sulfonyl]-, (E)-

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

Benzene, [[1-(3-methyl-2-butenyl)-1-octenyl]sulfonyl]-, (E)-
SpectraBase Compound ID HeRdqY8XIDK
InChI InChI=1S/C19H28O2S/c1-4-5-6-7-9-14-19(16-15-17(2)3)22(20,21)18-12-10-8-11-13-18/h8,10-15H,4-7,9,16H2,1-3H3/b19-14-
InChIKey AKEXTRIMRXLSAD-RGEXLXHISA-N
Mol Weight 320.49 g/mol
Molecular Formula C19H28O2S
Exact Mass 320.181001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7rJ189U98z
Name Benzene, [[1-(3-methyl-2-butenyl)-1-octenyl]sulfonyl]-, (E)-
Comments Computed using HOSE algorithm
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Exact Mass 320.181001314 u
Formula C19H28O2S
InChI InChI=1S/C19H28O2S/c1-4-5-6-7-9-14-19(16-15-17(2)3)22(20,21)18-12-10-8-11-13-18/h8,10-15H,4-7,9,16H2,1-3H3/b19-14-
InChIKey AKEXTRIMRXLSAD-RGEXLXHISA-N
Molecular Weight 320.491 g/mol
SMILES C(\C(S(=O)(=O)C=1C=CC=CC1)=C\CCCCCC)C=C(C)C