![(E)-but-2-enoic acid [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester](/api/spectrum/H6xI9oeqVp0/structure.png?h=300&w=458 "(E)-but-2-enoic acid [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester")
| SpectraBase Compound ID | 9ricEegveOm |
|---|---|
| InChI | InChI=1S/C14H18N2O6/c1-3-4-12(18)21-7-10-9(17)5-11(22-10)16-6-8(2)13(19)15-14(16)20/h3-4,6,9-11,17H,5,7H2,1-2H3,(H,15,19,20)/b4-3+/t9-,10+,11+/m0/s1 |
| InChIKey | VENSHNMUBBRHOX-BJPDOBEOSA-N |
| Mol Weight | 310.31 g/mol |
| Molecular Formula | C14H18N2O6 |
| Exact Mass | 310.116486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H6xI9oeqVp0 |
|---|---|
| Name | (E)-but-2-enoic acid [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester |
| Compound Number | 3F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C14H18N2O6 |
| InChI | InChI=1S/C14H18N2O6/c1-3-4-12(18)21-7-10-9(17)5-11(22-10)16-6-8(2)13(19)15-14(16)20/h3-4,6,9-11,17H,5,7H2,1-2H3,(H,15,19,20)/b4-3+/t9-,10+,11+/m0/s1 |
| InChIKey | VENSHNMUBBRHOX-BJPDOBEOSA-N |
| Literature Reference Author | F.MORIS,V.GOTOR |
| Literature Reference Citation | J.ORG.CHEM.,58,653(1993) |
| Literature Reference DOI | 10.1021/jo00055a018 |
| Molecular Weight | 310.307 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS18844 |