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1'-Benzoylpent-4'-enyl 4-methylbenzene-1-sulfonate
SpectraBase Compound ID J83eGymw3OD
InChI InChI=1S/C19H20O4S/c1-3-4-10-18(19(20)16-8-6-5-7-9-16)23-24(21,22)17-13-11-15(2)12-14-17/h3,5-9,11-14,18H,1,4,10H2,2H3
InChIKey WQTWKZPHZDORNO-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C19H20O4S
Exact Mass 344.10823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Hdlti3xHY
Name 1'-Benzoylpent-4'-enyl 4-methylbenzene-1-sulfonate
Comments Computed using HOSE algorithm
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Exact Mass 344.108230294 u
Formula C19H20O4S
InChI InChI=1S/C19H20O4S/c1-3-4-10-18(19(20)16-8-6-5-7-9-16)23-24(21,22)17-13-11-15(2)12-14-17/h3,5-9,11-14,18H,1,4,10H2,2H3
InChIKey WQTWKZPHZDORNO-UHFFFAOYSA-N
Molecular Weight 344.425 g/mol
SMILES C(OS(C=1C=CC(=CC1)C)(=O)=O)(C(=O)C1=CC=CC=C1)CCC=C