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2-[2-[2-(p-Tolylsulfonyloxy)ethoxy]phenoxy]ethyl 4-methylbenzenesulfonate
SpectraBase Compound ID Fc1JacOfgfw
InChI InChI=1S/C24H26O8S2/c1-19-7-11-21(12-8-19)33(25,26)31-17-15-29-23-5-3-4-6-24(23)30-16-18-32-34(27,28)22-13-9-20(2)10-14-22/h3-14H,15-18H2,1-2H3
InChIKey YGDKRYNTGOUJKA-UHFFFAOYSA-N
Mol Weight 506.58 g/mol
Molecular Formula C24H26O8S2
Exact Mass 506.10691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AEXp1sYkaiF
Name 2-[2-[2-(p-Tolylsulfonyloxy)ethoxy]phenoxy]ethyl 4-methylbenzenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 506.106910137 u
Formula C24H26O8S2
InChI InChI=1S/C24H26O8S2/c1-19-7-11-21(12-8-19)33(25,26)31-17-15-29-23-5-3-4-6-24(23)30-16-18-32-34(27,28)22-13-9-20(2)10-14-22/h3-14H,15-18H2,1-2H3
InChIKey YGDKRYNTGOUJKA-UHFFFAOYSA-N
Molecular Weight 506.584 g/mol
SMILES C1(S(=O)(=O)OCCOC=2C(OCCOS(C=3C=CC(=CC3)C)(=O)=O)=CC=CC2)=CC=C(C=C1)C