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(2R,3R,4R,5R)-2-((benzoyloxy)methyl)-5-(3-oxo-5-thioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)tetrahydrofuran-3,4-diyl dibenzoate

View entire compound with spectra: 2 NMR

(2R,3R,4R,5R)-2-((benzoyloxy)methyl)-5-(3-oxo-5-thioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)tetrahydrofuran-3,4-diyl dibenzoate
SpectraBase Compound ID 8YezBPZm6tp
InChI InChI=1S/C29H23N3O8S/c33-26(18-10-4-1-5-11-18)37-17-21-23(39-27(34)19-12-6-2-7-13-19)24(40-28(35)20-14-8-3-9-15-20)25(38-21)32-29(36)31-22(41)16-30-32/h1-16,21,23-25H,17H2,(H,31,36,41)
InChIKey SZFMEFKXFONLHR-UHFFFAOYSA-N
Mol Weight 573.58 g/mol
Molecular Formula C29H23N3O8S
Exact Mass 573.120586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6bliFuKQSEw
Name (2R,3R,4R,5R)-2-((Benzoyloxy)methyl)-5-(3-oxo-5-thioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)tetrahydrofuran-3,4-diyl dibenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 573.120585879 u
Formula C29H23N3O8S
InChI InChI=1S/C29H23N3O8S/c33-26(18-10-4-1-5-11-18)37-17-21-23(39-27(34)19-12-6-2-7-13-19)24(40-28(35)20-14-8-3-9-15-20)25(38-21)32-29(36)31-22(41)16-30-32/h1-16,21,23-25H,17H2,(H,31,36,41)
InChIKey SZFMEFKXFONLHR-UHFFFAOYSA-N
Molecular Weight 573.576 g/mol
SMILES N1C(C=NN(C1=O)C1C(C(OC(=O)C=2C=CC=CC2)C(O1)COC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)=S