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2-{2-{{7-{2-{2-{[(4-methylphenyl)sulfonyl]oxy}ethoxy}ethoxy}-9-oxo-9H-fluoren-2-yl}oxy}ethoxy}ethyl 4-methylbenzrnesulfonate

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2-{2-{{7-{2-{2-{[(4-methylphenyl)sulfonyl]oxy}ethoxy}ethoxy}-9-oxo-9H-fluoren-2-yl}oxy}ethoxy}ethyl 4-methylbenzrnesulfonate
SpectraBase Compound ID 4sbff5kUFP2
InChI InChI=1S/C35H36O11S2/c1-25-3-9-29(10-4-25)47(37,38)45-21-17-41-15-19-43-27-7-13-31-32-14-8-28(24-34(32)35(36)33(31)23-27)44-20-16-42-18-22-46-48(39,40)30-11-5-26(2)6-12-30/h3-14,23-24H,15-22H2,1-2H3
InChIKey XXCCKBJHDVQNIS-UHFFFAOYSA-N
Mol Weight 696.8 g/mol
Molecular Formula C35H36O11S2
Exact Mass 696.169904 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9XROyKjd2AH
Name 2-{2-{{7-{2-{2-{[(4-methylphenyl)sulfonyl]oxy}ethoxy}ethoxy}-9-oxo-9H-fluoren-2-yl}oxy}ethoxy}ethyl 4-methylbenzrnesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 696.169904316 u
Formula C35H36O11S2
InChI InChI=1S/C35H36O11S2/c1-25-3-9-29(10-4-25)47(37,38)45-21-17-41-15-19-43-27-7-13-31-32-14-8-28(24-34(32)35(36)33(31)23-27)44-20-16-42-18-22-46-48(39,40)30-11-5-26(2)6-12-30/h3-14,23-24H,15-22H2,1-2H3
InChIKey XXCCKBJHDVQNIS-UHFFFAOYSA-N
Molecular Weight 696.782 g/mol
SMILES C=1(S(=O)(=O)OCCOCCOC=2C=C3C(C=4C=C(OCCOCCOS(C5=CC=C(C=C5)C)(=O)=O)C=CC4C3=CC2)=O)C=CC(=CC1)C