| SpectraBase Compound ID | 8q8j825miM5 |
|---|---|
| InChI | InChI=1S/C31H26N5O9PS.C6H15N/c37-28(19-10-4-1-5-11-19)35-26-23-27(33-17-32-26)36(18-34-23)29-25(45-31(39)21-14-8-3-9-15-21)24(22(43-29)16-42-46(40,41)47)44-30(38)20-12-6-2-7-13-20;1-4-7(5-2)6-3/h1-15,17-18,22,24-25,29H,16H2,(H2,40,41,47)(H,32,33,35,37);4-6H2,1-3H3/t22-,24-,25-,29-;/m0./s1 |
| InChIKey | AMDODRRKMRZXRB-QAHANNCQSA-N |
| Mol Weight | 776.8 g/mol |
| Molecular Formula | C37H41N6O9PS |
| Exact Mass | 776.239335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ILf8GNVVYXy |
|---|---|
| Name | TRIETHYLAMMONIUM-6-N-BENZOYL-2',3'-DI-O-BENZOYLADENOSINE-5-O-THIOPHOSPHATE |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H40N6O9PS |
| InChI | InChI=1S/C31H26N5O9PS.C6H15N/c37-28(19-10-4-1-5-11-19)35-26-23-27(33-17-32-26)36(18-34-23)29-25(45-31(39)21-14-8-3-9-15-21)24(22(43-29)16-42-46(40,41)47)44-30(38)20-12-6-2-7-13-20;1-4-7(5-2)6-3/h1-15,17-18,22,24-25,29H,16H2,(H2,40,41,47)(H,32,33,35,37);4-6H2,1-3H3/t22-,24-,25-,29-;/m0./s1 |
| InChIKey | AMDODRRKMRZXRB-QAHANNCQSA-N |
| Literature Reference Author | T.MORIGUCHI,T.YANAGI,T.WADA,M.SEKINE |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1859(1999) |
| Literature Reference DOI | 10.1039/a900985j |
| Molecular Weight | 775.793 g/mol |
| Solvent | CDCl3 |