| SpectraBase Compound ID | 6rBe5HuZFLx |
|---|---|
| InChI | InChI=1S/C53H85N2O3P.H3N/c1-44(2)21-12-22-45(3)23-13-24-46(4)25-14-26-47(5)27-15-28-48(6)29-16-30-49(7)31-17-32-50(8)33-18-34-51(9)35-19-36-52(10)37-20-38-53(11)39-42-58-59(56,57)55-41-40-54-43-55;/h21,23,25,27,29,31,33,35,37,39-41,43H,12-20,22,24,26,28,30,32,34,36,38,42H2,1-11H3,(H,56,57);1H3/b45-23+,46-25+,47-27+,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-; |
| InChIKey | INFXCAVIBYMZDI-ZCZWVLHHSA-N |
| Mol Weight | 846.3 g/mol |
| Molecular Formula | C53H88N3O3P |
| Exact Mass | 845.656331 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjkRYDRMkBI |
|---|---|
| Name | AMMONIUM O-MORAPRENYL(IMIDAZOLYL)PHOSPHATE |
| Comments | , THF:DMSO=1:1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C53H88N3O3P |
| InChI | InChI=1S/C53H85N2O3P.H3N/c1-44(2)21-12-22-45(3)23-13-24-46(4)25-14-26-47(5)27-15-28-48(6)29-16-30-49(7)31-17-32-50(8)33-18-34-51(9)35-19-36-52(10)37-20-38-53(11)39-42-58-59(56,57)55-41-40-54-43-55;/h21,23,25,27,29,31,33,35,37,39-41,43H,12-20,22,24,26,28,30,32,34,36,38,42H2,1-11H3,(H,56,57);1H3/b45-23+,46-25+,47-27+,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-; |
| InChIKey | INFXCAVIBYMZDI-ZCZWVLHHSA-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 | C4H8O/C2H6SO |