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Benzenesulfonic acid, 4-methoxy-, [(4-methylphenyl)sulfonyl]methyl ester
SpectraBase Compound ID LdiNaLbYl55
InChI InChI=1S/C15H16O6S2/c1-12-3-7-14(8-4-12)22(16,17)11-21-23(18,19)15-9-5-13(20-2)6-10-15/h3-10H,11H2,1-2H3
InChIKey DNRDRFUXNNMRDK-UHFFFAOYSA-N
Mol Weight 356.41 g/mol
Molecular Formula C15H16O6S2
Exact Mass 356.038831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F37MFsyfMD8
Name Benzenesulfonic acid, 4-methoxy-, [(4-methylphenyl)sulfonyl]methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.038830577 u
Formula C15H16O6S2
InChI InChI=1S/C15H16O6S2/c1-12-3-7-14(8-4-12)22(16,17)11-21-23(18,19)15-9-5-13(20-2)6-10-15/h3-10H,11H2,1-2H3
InChIKey DNRDRFUXNNMRDK-UHFFFAOYSA-N
Molecular Weight 356.407 g/mol
SMILES C1(S(OCS(=O)(=O)C2=CC=C(C=C2)C)(=O)=O)=CC=C(C=C1)OC