![Dibutylbis[4-[(3-Methyl-1H-imidazolium-4-yl)methyl]-3-[(3-hydroxy-3-phenyl-2-methylpropionyl]-2-oxazolidinone]boranephosphoic acid complex](/api/spectrum/24jjaXRIiqv/structure.png?h=300&w=458 "Dibutylbis[4-[(3-Methyl-1H-imidazolium-4-yl)methyl]-3-[(3-hydroxy-3-phenyl-2-methylpropionyl]-2-oxazolidinone]boranephosphoic acid complex")
| SpectraBase Compound ID | 3ypxUgJQlai |
|---|---|
| InChI | InChI=1S/C44H60BN6O8.H3O4P/c1-31(39(52)33-15-7-5-8-16-33)41(54)50-37(27-58-43(50)56)23-35-25-48(29-46(35)3)21-13-11-19-45-20-12-14-22-49-26-36(47(4)30-49)24-38-28-59-44(57)51(38)42(55)32(2)40(53)34-17-9-6-10-18-34;1-5(2,3)4/h5-10,15-18,25-26,29-32,37-40,52-53H,11-14,19-24,27-28,45H2,1-4H3;(H3,1,2,3,4)/q+3;/p-1 |
| InChIKey | OWAQBDNAIUERII-UHFFFAOYSA-M |
| Mol Weight | 908.8 g/mol |
| Molecular Formula | C44H62BN6O12P |
| Exact Mass | 908.425639 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 24jjaXRIiqv |
|---|---|
| Name | Dibutylbis[4-[(3-Methyl-1H-imidazolium-4-yl)methyl]-3-[(3-hydroxy-3-phenyl-2-methylpropionyl]-2-oxazolidinone]boranephosphoic acid complex |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H62BN6O12P |
| InChI | InChI=1S/C44H60BN6O8.H3O4P/c1-31(39(52)33-15-7-5-8-16-33)41(54)50-37(27-58-43(50)56)23-35-25-48(29-46(35)3)21-13-11-19-45-20-12-14-22-49-26-36(47(4)30-49)24-38-28-59-44(57)51(38)42(55)32(2)40(53)34-17-9-6-10-18-34;1-5(2,3)4/h5-10,15-18,25-26,29-32,37-40,52-53H,11-14,19-24,27-28,45H2,1-4H3;(H3,1,2,3,4)/q+3;/p-1 |
| InChIKey | OWAQBDNAIUERII-UHFFFAOYSA-M |
| Molecular Weight | 908.794 g/mol |
| SMILES | OP([O-])(=O)O.OC(C(C(N1C(Cc2c[n+](CCCC[BH2+]CCCC[n+]3cc(CC4N(C(C(C(c5ccccc5)O)C)=O)C(OC4)=O)[n](c3)C)c[n]2C)COC1=O)=O)C)c1ccccc1 |
| SPLASH | splash10-0550-0790704200-f68ed560ddd0933c83e9 |
| Source of Spectrum | AJ-64-679-15 |
| Wiley ID | 771020 |