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(4R*,5R*)-4-Acetoxy-5-(1,4-dioxo-3-phenylsulfanyl-1,4-dihydro-2-naphthyl)tetrahydrofuran-2-one

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(4R*,5R*)-4-Acetoxy-5-(1,4-dioxo-3-phenylsulfanyl-1,4-dihydro-2-naphthyl)tetrahydrofuran-2-one
SpectraBase Compound ID KtAESRv6dbI
InChI InChI=1S/C22H16O6S/c1-12(23)27-16-11-17(24)28-21(16)18-19(25)14-9-5-6-10-15(14)20(26)22(18)29-13-7-3-2-4-8-13/h2-10,16,21H,11H2,1H3/t16-,21+/m1/s1
InChIKey UWTKSTBZVHYBML-IERDGZPVSA-N
Mol Weight 408.42 g/mol
Molecular Formula C22H16O6S
Exact Mass 408.066759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SdmfUfCTnm
Name (4R*,5R*)-4-Acetoxy-5-(1,4-dioxo-3-phenylsulfanyl-1,4-dihydro-2-naphthyl)tetrahydrofuran-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.066759403 u
Formula C22H16O6S
InChI InChI=1S/C22H16O6S/c1-12(23)27-16-11-17(24)28-21(16)18-19(25)14-9-5-6-10-15(14)20(26)22(18)29-13-7-3-2-4-8-13/h2-10,16,21H,11H2,1H3/t16-,21+/m1/s1
InChIKey UWTKSTBZVHYBML-IERDGZPVSA-N
Molecular Weight 408.424 g/mol
SMILES C1(=C(C(=O)C=2C(C1=O)=CC=CC2)SC1=CC=CC=C1)[C@@]1([C@@](CC(O1)=O)(OC(=O)C)[H])[H]