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1-Thymine-2-deoxy-.beta.-D-ribofuranos-5-yl Butanoate
SpectraBase Compound ID ATTdB3Ajyfp
InChI InChI=1S/C14H20N2O6/c1-3-4-12(18)21-7-10-9(17)5-11(22-10)16-6-8(2)13(19)15-14(16)20/h6,9-11,17H,3-5,7H2,1-2H3,(H,15,19,20)/t9-,10+,11-/m1/s1
InChIKey DPHHBDIVEDBTMG-OUAUKWLOSA-N
Mol Weight 312.32 g/mol
Molecular Formula C14H20N2O6
Exact Mass 312.132136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XRMqCwWP2
Name 1-Thymine-2-deoxy-.beta.-D-ribofuranos-5-yl Butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20N2O6
InChI InChI=1S/C14H20N2O6/c1-3-4-12(18)21-7-10-9(17)5-11(22-10)16-6-8(2)13(19)15-14(16)20/h6,9-11,17H,3-5,7H2,1-2H3,(H,15,19,20)/t9-,10+,11-/m1/s1
InChIKey DPHHBDIVEDBTMG-OUAUKWLOSA-N
Molecular Weight 312.322 g/mol
SMILES N1C(C(=CN([C@]2(C[C@]([C@@](O2)(COC(=O)CCC)[H])(O)[H])[H])C1=O)C)=O
SPLASH splash10-0089-9200000000-5f0b228546a8f64bb017
Source of Spectrum J-58-659-3
Synonyms [(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl butanoate
Wiley ID 1312971