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1-[(2R,4R)-4-Acetoxy-N-(methoxycarbonyl)-2-pyrrolidinyl]-5-iodouracil
SpectraBase Compound ID GZMQABEBwqr
InChI InChI=1S/C12H14IN3O6/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 NXVLBMICTMCDOZ-VXNVDRBHSA-N
Mol Weight 423.16 g/mol
Molecular Formula C12H14IN3O6
Exact Mass 422.99273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eYxJVthhuI
Name 1-[(2R,4R)-4-Acetoxy-N-(methoxycarbonyl)-2-pyrrolidinyl]-5-iodouracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14IN3O6
InChI InChI=1S/C12H14IN3O6/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 NXVLBMICTMCDOZ-VXNVDRBHSA-N
Molecular Weight 423.163 g/mol
SMILES N1C(C(=CN(C1=O)[C@@]1(N(C(=O)OC)C[C@@](C1)(OC(=O)C)[H])[H])I)=O
SPLASH splash10-004i-0900000000-c0a6b5ee86e227970ce4
Source of Spectrum U1-2010-3851-19
Synonyms (2R,4R)-4-acetyloxy-2-(5-iodo-2,4-dioxo-1-pyrimidinyl)-1-pyrrolidinecarboxylic acid methyl ester Methyl (2R,4R)-4-acetyloxy-2-(5-iodo-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate Methyl (2R,4R)-4-acetoxy-2-(5-iodo-2,4-dioxo-pyrimidin-1-yl)pyrrolidine-1-carboxylate Methyl (2R,4R)-4-acetyloxy-2-[5-iodanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pyrrolidine-1-carboxylate
Wiley ID 1664026