![2-{[(6-chloro-1,3-benzodioxan-8-yl)methyl]thio}-4-pyrimidinol](/api/spectrum/I44snKSWh6H/structure.png?h=300&w=458 "2-{[(6-chloro-1,3-benzodioxan-8-yl)methyl]thio}-4-pyrimidinol")
| SpectraBase Compound ID | 68fpbwuLB2b |
|---|---|
| InChI | InChI=1S/C13H11ClN2O3S/c14-10-3-8-5-18-7-19-12(8)9(4-10)6-20-13-15-2-1-11(17)16-13/h1-4H,5-7H2,(H,15,16,17) |
| InChIKey | PFUJFWGPDONLLF-UHFFFAOYSA-N |
| Mol Weight | 310.76 g/mol |
| Molecular Formula | C13H11ClN2O3S |
| Exact Mass | 310.017891 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I44snKSWh6H |
|---|---|
| Name | 2-{[(6-chloro-1,3-benzodioxan-8-yl)methyl]thio}-4-pyrimidinol |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H11ClN2O3S |
| InChI | InChI=1S/C13H11ClN2O3S/c14-10-3-8-5-18-7-19-12(8)9(4-10)6-20-13-15-2-1-11(17)16-13/h1-4H,5-7H2,(H,15,16,17) |
| InChIKey | PFUJFWGPDONLLF-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46469M |
| Solvent | DMSO-d6 |