![[(2R,3R)-1-[(R)-ISOPINOCAMPHEYL]-3-METHYL-4-AZONIA-1-BORANUIDASPIRO-[3.4]-OCTAN-2-YL]-TRIPHENYLPHOSPHONIUM-BROMIDE](/api/spectrum/IDRAIsTMKL7/structure.png?h=300&w=458 "[(2R,3R)-1-[(R)-ISOPINOCAMPHEYL]-3-METHYL-4-AZONIA-1-BORANUIDASPIRO-[3.4]-OCTAN-2-YL]-TRIPHENYLPHOSPHONIUM-BROMIDE")
| SpectraBase Compound ID | HpcuB5tFzoB |
|---|---|
| InChI | InChI=1S/C35H46BNP.BrH/c1-26-32-24-28(35(32,3)4)25-33(26)36-34(27(2)37(36)22-14-15-23-37)38(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31;/h5-13,16-21,26-28,32-34,36H,14-15,22-25H2,1-4H3;1H/q+1;/p-1/t26-,27+,28+,32-,33-,34+,36?;/m0./s1 |
| InChIKey | SBUVCCZHKUYXRE-MLSWGPMLSA-M |
| Mol Weight | 601.4 g/mol |
| Molecular Formula | C35H45BBrNP |
| Exact Mass | 600.256606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IDRAIsTMKL7 |
|---|---|
| Name | [(2R,3R)-1-[(R)-ISOPINOCAMPHEYL]-3-METHYL-4-AZONIA-1-BORANUIDASPIRO-[3.4]-OCTAN-2-YL]-TRIPHENYLPHOSPHONIUM-BROMIDE |
| Compound Number | 8AA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H45BBrNP |
| InChI | InChI=1S/C35H46BNP.BrH/c1-26-32-24-28(35(32,3)4)25-33(26)36-34(27(2)37(36)22-14-15-23-37)38(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31;/h5-13,16-21,26-28,32-34,36H,14-15,22-25H2,1-4H3;1H/q+1;/p-1/t26-,27+,28+,32-,33-,34+,36?;/m0./s1 |
| InChIKey | SBUVCCZHKUYXRE-MLSWGPMLSA-M |
| Literature Reference Author | B.L.BOOTH,N.J.LAWRENCE,H.S.RASHID |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3509(1997) |
| Literature Reference DOI | 10.1039/a703936k |
| Molecular Weight | 601.437 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU8069 |