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1-[(2R,3S,4S)-4-Acetoxy-3-iodo-N-(methoxycarbonyl)-2-pyrrolidinyl]-5-fluorouracil
SpectraBase Compound ID 6LXw2d0FMrP
InChI InChI=1S/C12H13FIN3O6/c1-5(18)23-7-4-17(12(21)22-2)10(8(7)14)16-3-6(13)9(19)15-11(16)20/h3,7-8,10H,4H2,1-2H3,(H,15,19,20)/t7-,8+,10+/m0/s1
InChIKey NZPJAKTVEPJSFG-QXFUBDJGSA-N
Mol Weight 441.15 g/mol
Molecular Formula C12H13FIN3O6
Exact Mass 440.983308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dwm8zzhZaub
Name 1-[(2R,3S,4S)-4-Acetoxy-3-iodo-N-(methoxycarbonyl)-2-pyrrolidinyl]-5-fluorouracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13FIN3O6
InChI InChI=1S/C12H13FIN3O6/c1-5(18)23-7-4-17(12(21)22-2)10(8(7)14)16-3-6(13)9(19)15-11(16)20/h3,7-8,10H,4H2,1-2H3,(H,15,19,20)/t7-,8+,10+/m0/s1
InChIKey NZPJAKTVEPJSFG-QXFUBDJGSA-N
Molecular Weight 441.154 g/mol
SMILES N1C(C(=CN(C1=O)[C@@]1(N(C(=O)OC)C[C@@]([C@]1(I)[H])(OC(=O)C)[H])[H])F)=O
SPLASH splash10-03fr-0709000000-072388ca5fde8b7e70bb
Source of Spectrum U1-2010-6639-34
Wiley ID 1710895