![1H-Pyrazole, 1-(9-borabicyclo[3.3.1]non-9-yl)-3,5-bis(tricyclo[3.3.1.13,7]dec-1-yl)-](/api/spectrum/DVCAnpvh3BW/structure.png?h=300&w=458 "1H-Pyrazole, 1-(9-borabicyclo[3.3.1]non-9-yl)-3,5-bis(tricyclo[3.3.1.13,7]dec-1-yl)-")
| SpectraBase Compound ID | 1SZQ30H8YhW |
|---|---|
| InChI | InChI=1S/C31H45BN2/c1-3-26-5-2-6-27(4-1)32(26)34-28(30-24-11-19-7-20(13-24)14-25(30)12-19)15-29(33-34)31-16-21-8-22(17-31)10-23(9-21)18-31/h15,19-27,30H,1-14,16-18H2/t19-,20+,21-,22+,23-,24-,25+,26-,27+,30-,31- |
| InChIKey | LPJHQEPMDYNDMK-GMITYKDLSA-N |
| Mol Weight | 456.5 g/mol |
| Molecular Formula | C31H45BN2 |
| Exact Mass | 456.36758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DVCAnpvh3BW |
|---|---|
| Name | 1H-Pyrazole, 1-(9-borabicyclo[3.3.1]non-9-yl)-3,5-bis(tricyclo[3.3.1.13,7]dec-1-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.367579627 u |
| Formula | C31H45BN2 |
| InChI | InChI=1S/C31H45BN2/c1-3-26-5-2-6-27(4-1)32(26)34-28(30-24-11-19-7-20(13-24)14-25(30)12-19)15-29(33-34)31-16-21-8-22(17-31)10-23(9-21)18-31/h15,19-27,30H,1-14,16-18H2/t19-,20+,21-,22+,23-,24-,25+,26-,27+,30-,31- |
| InChIKey | LPJHQEPMDYNDMK-GMITYKDLSA-N |
| Molecular Weight | 456.525 g/mol |
| SMILES | C1(=CC(=NN1B1[C@]2(CCC[C@@]1(CCC2)[H])[H])C12C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H])C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H] |