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1-Thymine-2-deoxy-.beta.-D-ribofuranos-3-yl 2-propenoate
SpectraBase Compound ID K71GwoUlhBs
InChI InChI=1S/C13H16N2O6/c1-3-11(17)21-8-4-10(20-9(8)6-16)15-5-7(2)12(18)14-13(15)19/h3,5,8-10,16H,1,4,6H2,2H3,(H,14,18,19)/t8-,9+,10?/m0/s1
InChIKey XHABWLAMOHNXBZ-QIIDTADFSA-N
Mol Weight 296.28 g/mol
Molecular Formula C13H16N2O6
Exact Mass 296.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXNeTot4fMR
Name 1-Thymine-2-deoxy-.beta.-D-ribofuranos-3-yl 2-propenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O6
InChI InChI=1S/C13H16N2O6/c1-3-11(17)21-8-4-10(20-9(8)6-16)15-5-7(2)12(18)14-13(15)19/h3,5,8-10,16H,1,4,6H2,2H3,(H,14,18,19)/t8-,9+,10?/m0/s1
InChIKey XHABWLAMOHNXBZ-QIIDTADFSA-N
Molecular Weight 296.279 g/mol
SMILES N1C(C(=CN(C2O[C@](CO)([C@](C2)(OC(C=C)=O)[H])[H])C1=O)C)=O
SPLASH splash10-05mk-9100000000-d4238b9bca6f696ab7af
Source of Spectrum J-58-659-4
Synonyms (2R,3S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl prop-2-enoate
Wiley ID 1298711