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1-(2R,4S,5S)-4-[(benzoyloxy)methyl]-5-[2-(acetylthio)ethyl]tetrahydrofuran-2-yl]uracil
SpectraBase Compound ID 4sNsemZnGMA
InChI InChI=1S/C20H22N2O6S/c1-13(23)29-10-8-16-15(12-27-19(25)14-5-3-2-4-6-14)11-18(28-16)22-9-7-17(24)21-20(22)26/h2-7,9,15-16,18H,8,10-12H2,1H3,(H,21,24,26)/t15-,16-,18+/m0/s1
InChIKey OXEQZXZATUXNOD-XYJFISCASA-N
Mol Weight 418.46 g/mol
Molecular Formula C20H22N2O6S
Exact Mass 418.119858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IT3OwEpMQeA
Name 1-(2R,4S,5S)-4-[(benzoyloxy)methyl]-5-[2-(acetylthio)ethyl]tetrahydrofuran-2-yl]uracil
Alternate Name(s) [(2S,3S,5R)-2-[2-(acetylsulfanyl)ethyl]-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-furanyl]methyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O6S
InChI InChI=1S/C20H22N2O6S/c1-13(23)29-10-8-16-15(12-27-19(25)14-5-3-2-4-6-14)11-18(28-16)22-9-7-17(24)21-20(22)26/h2-7,9,15-16,18H,8,10-12H2,1H3,(H,21,24,26)/t15-,16-,18+/m0/s1
InChIKey OXEQZXZATUXNOD-XYJFISCASA-N
Molecular Weight 418.464 g/mol
SMILES N1C(C=CN(C1=O)[C@@]1(O[C@@](CCSC(=O)C)([C@@](C1)(COC(=O)c1ccccc1)[H])[H])[H])=O
SPLASH splash10-052f-9400000000-cc41cccdfa63d4a7efde
Source of Spectrum J-56-3880-40
Wiley ID 1377065