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1-[(2S,4R)-4-Acetoxy-N-(methoxycarbonyl)-2-pyrrolidinyl]-5-fluorouracil
SpectraBase Compound ID BByTT8UWFE6
InChI InChI=1S/C12H14FN3O6/c1-6(17)22-7-3-9(16(4-7)12(20)21-2)15-5-8(13)10(18)14-11(15)19/h5,7,9H,3-4H2,1-2H3,(H,14,18,19)/t7-,9+/m1/s1
InChIKey OPPJVXZRXDPUPH-APPZFPTMSA-N
Mol Weight 315.26 g/mol
Molecular Formula C12H14FN3O6
Exact Mass 315.086663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JClJyTE1zp
Name 1-[(2S,4R)-4-Acetoxy-N-(methoxycarbonyl)-2-pyrrolidinyl]-5-fluorouracil
Alternate Name(s) (2S,4R)-4-acetyloxy-2-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-1-pyrrolidinecarboxylic acid methyl ester Methyl (2S,4R)-4-acetyloxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate Methyl (2S,4R)-4-acetoxy-2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)pyrrolidine-1-carboxylate Methyl (2S,4R)-4-acetyloxy-2-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pyrrolidine-1-carboxylate
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Formula C12H14FN3O6
InChI InChI=1S/C12H14FN3O6/c1-6(17)22-7-3-9(16(4-7)12(20)21-2)15-5-8(13)10(18)14-11(15)19/h5,7,9H,3-4H2,1-2H3,(H,14,18,19)/t7-,9+/m1/s1
InChIKey OPPJVXZRXDPUPH-APPZFPTMSA-N
Molecular Weight 315.257 g/mol
SMILES N1C(C(=CN(C1=O)[C@]1(N(C(=O)OC)C[C@@](C1)(OC(=O)C)[H])[H])F)=O
SPLASH splash10-004i-0900000000-0f8f8188e65e82d53c88
Source of Spectrum U1-2010-3851-16
Wiley ID 1664029