![[3,5-BIS-(HYDROXYMETHOXYPHOSPHORYLMETHYL)-BENZYL]-PHOSPHORIC-ACID-MONOMETHYLESTER-TRIS-(TETRABUTYLAMMONIUM)-SALT](/api/spectrum/16HNK9he4uc/structure.png?h=300&w=458 "[3,5-BIS-(HYDROXYMETHOXYPHOSPHORYLMETHYL)-BENZYL]-PHOSPHORIC-ACID-MONOMETHYLESTER-TRIS-(TETRABUTYLAMMONIUM)-SALT")
| SpectraBase Compound ID | 8ygpDQIMiwu |
|---|---|
| InChI | InChI=1S/3C16H36N.C12H21O9P3/c3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-19-22(13,14)7-10-4-11(8-23(15,16)20-2)6-12(5-10)9-24(17,18)21-3/h3*5-16H2,1-4H3;4-6H,7-9H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)/q3*+1;/p-3 |
| InChIKey | BHXJULOAYSRDQK-UHFFFAOYSA-K |
| Mol Weight | 1126.6 g/mol |
| Molecular Formula | C60H126N3O9P3 |
| Exact Mass | 1125.870694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16HNK9he4uc |
|---|---|
| Name | [3,5-BIS-(HYDROXYMETHOXYPHOSPHORYLMETHYL)-BENZYL]-PHOSPHORIC-ACID-MONOMETHYLESTER-TRIS-(TETRABUTYLAMMONIUM)-SALT |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H126N3O9P3 |
| InChI | InChI=1S/3C16H36N.C12H21O9P3/c3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-19-22(13,14)7-10-4-11(8-23(15,16)20-2)6-12(5-10)9-24(17,18)21-3/h3*5-16H2,1-4H3;4-6H,7-9H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)/q3*+1;/p-3 |
| InChIKey | BHXJULOAYSRDQK-UHFFFAOYSA-K |
| Literature Reference Author | T.GRAWE,T.SCHRADER,M.GURRATH,A.KRAFT,F.OSTEROD |
| Literature Reference Citation | ORG.LETTERS,2,29(2000) |
| Literature Reference DOI | 10.1021/ol9910924 |
| Molecular Weight | 1126.596 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI25702 |