![3-[(DIETHOXYPHOSPHORYL)-THIOMETHYL]-NICOTINIC-ACID](/api/spectrum/6EmzPOHNE7f/structure.png?h=300&w=458 "3-[(DIETHOXYPHOSPHORYL)-THIOMETHYL]-NICOTINIC-ACID")
| SpectraBase Compound ID | 2ScF98Yj6un |
|---|---|
| InChI | InChI=1S/C11H16NO5PS/c1-3-16-18(15,17-4-2)8-19-10-9(11(13)14)6-5-7-12-10/h5-7H,3-4,8H2,1-2H3,(H,13,14) |
| InChIKey | ZCNFBTSWDHKDDQ-UHFFFAOYSA-N |
| Mol Weight | 305.28 g/mol |
| Molecular Formula | C11H16NO5PS |
| Exact Mass | 305.048681 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6EmzPOHNE7f |
|---|---|
| Name | 3-[(DIETHOXYPHOSPHORYL)-THIOMETHYL]-NICOTINIC-ACID |
| Compound Number | 2C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C11H16NO5PS |
| InChI | InChI=1S/C11H16NO5PS/c1-3-16-18(15,17-4-2)8-19-10-9(11(13)14)6-5-7-12-10/h5-7H,3-4,8H2,1-2H3,(H,13,14) |
| InChIKey | ZCNFBTSWDHKDDQ-UHFFFAOYSA-N |
| Literature Reference Author | G.WANG,S.Q.YAO |
| Literature Reference Citation | ORG.LETTERS,5,4437(2003) |
| Literature Reference DOI | 10.1021/ol035774+ |
| Solvent | CDCl3 |
| Source File Reference | UWLU38734 |