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5-C-Butylthymidine
SpectraBase Compound ID 4nEuYkfVTFB
InChI InChI=1S/C14H22N2O5/c1-3-4-5-9(17)12-10(18)6-11(21-12)16-7-8(2)13(19)15-14(16)20/h7,9-12,17-18H,3-6H2,1-2H3,(H,15,19,20)/t9-,10-,11?,12?/m0/s1
InChIKey NETCLROBKUNLTM-JYBOHDQNSA-N
Mol Weight 298.34 g/mol
Molecular Formula C14H22N2O5
Exact Mass 298.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6t2AQZl59Is
Name 5-C-Butylthymidine
Comments Less than 3 mono-isotopic peaks
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Formula C14H22N2O5
InChI InChI=1S/C14H22N2O5/c1-3-4-5-9(17)12-10(18)6-11(21-12)16-7-8(2)13(19)15-14(16)20/h7,9-12,17-18H,3-6H2,1-2H3,(H,15,19,20)/t9-,10-,11?,12?/m0/s1
InChIKey NETCLROBKUNLTM-JYBOHDQNSA-N
Molecular Weight 298.339 g/mol
SMILES O[C@](C1OC(C[C@@]1(O)[H])N1C=C(C(=O)NC1=O)C)(CCCC)[H]
SPLASH splash10-0002-0900000000-614f1f5155beedf3c8a2
Source of Spectrum H-84-96-5
Synonyms 5'-C-Butylthymidine 5-butyl-1-[(4S)-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Wiley ID 847456