| SpectraBase Compound ID | Hg9MNVyF2bZ |
|---|---|
| InChI | InChI=1S/C33H38BN3O10/c1-32(44)19-10-7-11-22(38)23(19)27(39)24-20(32)16-21-26(36(2)3)28(40)25(30(42)33(21,45)29(24)41)31(43)35-17-37-12-14-46-34(37,47-15-13-37)18-8-5-4-6-9-18/h4-11,20-21,26,38,40-41,44-45H,12-17H2,1-3H3,(H,35,43) |
| InChIKey | PPGAPYJWSXPEDJ-UHFFFAOYSA-N |
| Mol Weight | 647.5 g/mol |
| Molecular Formula | C33H38BN3O10 |
| Exact Mass | 647.265025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4FpL8SxZYgo |
|---|---|
| Name | PPGAPYJWSXPEDJ-UHFFFAOYSA-N |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H38BN3O10 |
| InChI | InChI=1S/C33H38BN3O10/c1-32(44)19-10-7-11-22(38)23(19)27(39)24-20(32)16-21-26(36(2)3)28(40)25(30(42)33(21,45)29(24)41)31(43)35-17-37-12-14-46-34(37,47-15-13-37)18-8-5-4-6-9-18/h4-11,20-21,26,38,40-41,44-45H,12-17H2,1-3H3,(H,35,43) |
| InChIKey | PPGAPYJWSXPEDJ-UHFFFAOYSA-N |
| Literature Reference Author | R.CSUK,H.HOENIG,C.ROMANIN |
| Literature Reference Citation | MH.CHEM.,113,1025(1982) |
| Literature Reference DOI | 10.1007/BF00799244 |
| Molecular Weight | 647.489 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS9329 |