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1,3-Propanedisulfonic acid, di(4-methylphenyl)ester

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1,3-Propanedisulfonic acid, di(4-methylphenyl)ester
SpectraBase Compound ID AtHXsGOURGd
InChI InChI=1S/C17H20O6S2/c1-14-4-8-16(9-5-14)22-24(18,19)12-3-13-25(20,21)23-17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3
InChIKey FOKGAIPRTDPFJP-UHFFFAOYSA-N
Mol Weight 384.46 g/mol
Molecular Formula C17H20O6S2
Exact Mass 384.070131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kdHYwyMnKC
Name 1,3-Propanedisulfonic acid, di(4-methylphenyl)ester
Comments Computed using HOSE algorithm
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Exact Mass 384.070130706 u
Formula C17H20O6S2
InChI InChI=1S/C17H20O6S2/c1-14-4-8-16(9-5-14)22-24(18,19)12-3-13-25(20,21)23-17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3
InChIKey FOKGAIPRTDPFJP-UHFFFAOYSA-N
Molecular Weight 384.461 g/mol
SMILES CC1=CC=C(OS(=O)(=O)CCCS(=O)(=O)OC2=CC=C(C)C=C2)C=C1