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1-Thymine-2-deoxy-.beta.-D-ribofuranos-5-yl Decanoate
SpectraBase Compound ID 9OyqIWLO2Y8
InChI InChI=1S/C20H32N2O6/c1-3-4-5-6-7-8-9-10-18(24)27-13-16-15(23)11-17(28-16)22-12-14(2)19(25)21-20(22)26/h12,15-17,23H,3-11,13H2,1-2H3,(H,21,25,26)/t15-,16+,17+/m1/s1
InChIKey KGBSDTPEJFUKDF-IKGGRYGDSA-N
Mol Weight 396.5 g/mol
Molecular Formula C20H32N2O6
Exact Mass 396.226037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QRT7w5nEi0
Name 1-Thymine-2-deoxy-.beta.-D-ribofuranos-5-yl Decanoate
Alternate Name(s) [(2S,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl decanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32N2O6
InChI InChI=1S/C20H32N2O6/c1-3-4-5-6-7-8-9-10-18(24)27-13-16-15(23)11-17(28-16)22-12-14(2)19(25)21-20(22)26/h12,15-17,23H,3-11,13H2,1-2H3,(H,21,25,26)/t15-,16+,17+/m1/s1
InChIKey KGBSDTPEJFUKDF-IKGGRYGDSA-N
Molecular Weight 396.484 g/mol
SMILES N1C(C(=CN([C@@]2(C[C@]([C@@](O2)(COC(=O)CCCCCCCCC)[H])(O)[H])[H])C1=O)C)=O
SPLASH splash10-001i-9220000000-a7763bd4e2ef23f177cf
Source of Spectrum J-58-659-3
Wiley ID 1367389