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5-Fluoro-1-[(2R,3R,4R)-3-hydroxy-N-(methoxycarbonyl)-4-phenylthio-2-pyrrolidinyl]uracil
SpectraBase Compound ID Jd7m6AJLImX
InChI InChI=1S/C16H16FN3O5S/c1-25-16(24)20-8-11(26-9-5-3-2-4-6-9)12(21)14(20)19-7-10(17)13(22)18-15(19)23/h2-7,11-12,14,21H,8H2,1H3,(H,18,22,23)/t11-,12+,14-/m1/s1
InChIKey CDEODYQWFIARLC-MBNYWOFBSA-N
Mol Weight 381.38 g/mol
Molecular Formula C16H16FN3O5S
Exact Mass 381.07947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mbzjO1BkO
Name 5-Fluoro-1-[(2R,3R,4R)-3-hydroxy-N-(methoxycarbonyl)-4-phenylthio-2-pyrrolidinyl]uracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16FN3O5S
InChI InChI=1S/C16H16FN3O5S/c1-25-16(24)20-8-11(26-9-5-3-2-4-6-9)12(21)14(20)19-7-10(17)13(22)18-15(19)23/h2-7,11-12,14,21H,8H2,1H3,(H,18,22,23)/t11-,12+,14-/m1/s1
InChIKey CDEODYQWFIARLC-MBNYWOFBSA-N
Molecular Weight 381.378 g/mol
SMILES O[C@]1([C@@](CN([C@]1(N1C(NC(C(=C1)F)=O)=O)[H])C(=O)OC)(Sc1ccccc1)[H])[H]
SPLASH splash10-0f8c-0591000000-9ae1d1de01a20f824e82
Source of Spectrum U1-2010-6640-44
Synonyms (2R,3R,4R)-2-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-4-(phenylthio)-1-pyrrolidinecarboxylic acid methyl ester Methyl (2R,3R,4R)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-phenylsulfanylpyrrolidine-1-carboxylate Methyl (2R,3R,4R)-2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-4-phenylsulfanyl-pyrrolidine-1-carboxylate Methyl (2R,3R,4R)-2-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phenylsulfanyl-pyrrolidine-1-carboxylate
Wiley ID 1664739