| SpectraBase Compound ID | DxRRoDgl1ba |
|---|---|
| InChI | InChI=1S/C57H87N2O3P.H3N/c1-46(2)23-14-24-47(3)25-15-26-48(4)27-16-28-49(5)29-17-30-50(6)31-18-32-51(7)33-19-34-52(8)35-20-36-53(9)37-21-38-54(10)39-22-40-55(11)43-44-62-63(60,61)59-45-58-56-41-12-13-42-57(56)59;/h12-13,23,25,27,29,31,33,35,37,39,41-43,45H,14-22,24,26,28,30,32,34,36,38,40,44H2,1-11H3,(H,60,61);1H3/b47-25+,48-27+,49-29+,50-31-,51-33-,52-35-,53-37-,54-39-,55-43-; |
| InChIKey | PAMCTEIFWTVWLM-XOBBHDJFSA-N |
| Mol Weight | 896.3 g/mol |
| Molecular Formula | C57H90N3O3P |
| Exact Mass | 895.671981 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82hHaSYxCZv |
|---|---|
| Name | AMMONIUM O-MORAPRENYL(BENZIMIDAZOLYL)PHOSPHATE |
| Comments | , DIOXANE:DMSO=1:1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C57H90N3O3P |
| InChI | InChI=1S/C57H87N2O3P.H3N/c1-46(2)23-14-24-47(3)25-15-26-48(4)27-16-28-49(5)29-17-30-50(6)31-18-32-51(7)33-19-34-52(8)35-20-36-53(9)37-21-38-54(10)39-22-40-55(11)43-44-62-63(60,61)59-45-58-56-41-12-13-42-57(56)59;/h12-13,23,25,27,29,31,33,35,37,39,41-43,45H,14-22,24,26,28,30,32,34,36,38,40,44H2,1-11H3,(H,60,61);1H3/b47-25+,48-27+,49-29+,50-31-,51-33-,52-35-,53-37-,54-39-,55-43-; |
| InChIKey | PAMCTEIFWTVWLM-XOBBHDJFSA-N |
| Instrument Name | Bruker AM-300 |
| Literature Reference | Z.P.BELOUSOVA, P.P.PURYGIN, L.L.DANILOV, V.N.SHIBAEV (1988)Bioorganich.Khim.(Russ. Lang.): v.14, N3, 379-384. |
| NMR Standard | H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C4H8O2/C2H6SO |