![caprylic acid [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester](/api/spectrum/At9qPpQaCpr/structure.png?h=300&w=458 "caprylic acid [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester")
| SpectraBase Compound ID | JLB8Bd9c571 |
|---|---|
| InChI | InChI=1S/C18H28N2O6/c1-3-4-5-6-7-8-16(22)25-11-14-13(21)9-15(26-14)20-10-12(2)17(23)19-18(20)24/h10,13-15,21H,3-9,11H2,1-2H3,(H,19,23,24)/t13-,14+,15+/m0/s1 |
| InChIKey | KCCGQVFFLDYUCK-RRFJBIMHSA-N |
| Mol Weight | 368.43 g/mol |
| Molecular Formula | C18H28N2O6 |
| Exact Mass | 368.194737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | At9qPpQaCpr |
|---|---|
| Name | caprylic acid [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester |
| Compound Number | 3D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H28N2O6 |
| InChI | InChI=1S/C18H28N2O6/c1-3-4-5-6-7-8-16(22)25-11-14-13(21)9-15(26-14)20-10-12(2)17(23)19-18(20)24/h10,13-15,21H,3-9,11H2,1-2H3,(H,19,23,24)/t13-,14+,15+/m0/s1 |
| InChIKey | KCCGQVFFLDYUCK-RRFJBIMHSA-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 | 368.430 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS18842 |