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4-{[4-(Benzyloxy)phenyl]sulfonyl}phenyl acetate

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4-{[4-(Benzyloxy)phenyl]sulfonyl}phenyl acetate
SpectraBase Compound ID GmcNdu5qXrv
InChI InChI=1S/C21H18O5S/c1-16(22)26-19-9-13-21(14-10-19)27(23,24)20-11-7-18(8-12-20)25-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKey ZZXUUOFIQGIZKT-UHFFFAOYSA-N
Mol Weight 382.43 g/mol
Molecular Formula C21H18O5S
Exact Mass 382.087495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQSm9pVklvo
Name 4-{[4-(Benzyloxy)phenyl]sulfonyl}phenyl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.087494849 u
Formula C21H18O5S
InChI InChI=1S/C21H18O5S/c1-16(22)26-19-9-13-21(14-10-19)27(23,24)20-11-7-18(8-12-20)25-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKey ZZXUUOFIQGIZKT-UHFFFAOYSA-N
Molecular Weight 382.430 g/mol
SMILES C=1C=CC(COC=2C=CC(S(C=3C=CC(OC(=O)C)=CC3)(=O)=O)=CC2)=CC1