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1-(6-O-Acetyl-5-O-benzoyl-2,3-dideoxy-.alpha.,D-erythro-hexofuranosyl)thymine
SpectraBase Compound ID 6yGrEQz6AB0
InChI InChI=1S/C20H22N2O7/c1-12-10-22(20(26)21-18(12)24)17-9-8-15(28-17)16(11-27-13(2)23)29-19(25)14-6-4-3-5-7-14/h3-7,10,15-17H,8-9,11H2,1-2H3,(H,21,24,26)/t15-,16+,17-/m0/s1
InChIKey JUDYAYZXAYUOMB-BBWFWOEESA-N
Mol Weight 402.4 g/mol
Molecular Formula C20H22N2O7
Exact Mass 402.142701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgSzfnx8zKI
Name 1-(6-O-Acetyl-5-O-benzoyl-2,3-dideoxy-.alpha.,D-erythro-hexofuranosyl)thymine
Alternate Name(s) 2-(benzoyloxy)-2-[5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]ethyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O7
InChI InChI=1S/C20H22N2O7/c1-12-10-22(20(26)21-18(12)24)17-9-8-15(28-17)16(11-27-13(2)23)29-19(25)14-6-4-3-5-7-14/h3-7,10,15-17H,8-9,11H2,1-2H3,(H,21,24,26)/t15-,16+,17-/m0/s1
InChIKey JUDYAYZXAYUOMB-BBWFWOEESA-N
Molecular Weight 402.403 g/mol
SMILES N1C(C(=CN(C1=O)[C@]1(O[C@]([C@](OC(=O)c2ccccc2)(COC(=O)C)[H])(CC1)[H])[H])C)=O
SPLASH splash10-0a6r-0960000000-e42644fdbbbc4f55403e
Source of Spectrum SO-0-1188-16
Wiley ID 1542714