| SpectraBase Compound ID | 9TOhmdnarT |
|---|---|
| InChI | InChI=1S/2C33H40BN5O5/c2*35-33-17-23-14-24(18-33)16-32(15-23,21-33)12-10-29(40)36-27(31(41)43-20-22-6-2-1-3-7-22)11-13-39-19-28(37-38-39)30-25-8-4-5-9-26(25)34(42)44-30/h2*1-9,19,23-24,27,30,42H,10-18,20-21,35H2,(H,36,40)/t2*23-,24+,27-,30?,32-,33-/m11/s1 |
| InChIKey | BFEKFMRIAUKIQS-BLBIIOOTSA-N |
| Mol Weight | 1195.0 g/mol |
| Molecular Formula | C66H80B2N10O10 |
| Exact Mass | 1194.624499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AnAvzokPvSJ |
|---|---|
| Name | 1-(L-TRIAZOLBENZOBOROXOLE-HOMOALANIN-BN)-CARBOXYETHYLADAMANTANE |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H80B2N10O10 |
| InChI | InChI=1S/2C33H40BN5O5/c2*35-33-17-23-14-24(18-33)16-32(15-23,21-33)12-10-29(40)36-27(31(41)43-20-22-6-2-1-3-7-22)11-13-39-19-28(37-38-39)30-25-8-4-5-9-26(25)34(42)44-30/h2*1-9,19,23-24,27,30,42H,10-18,20-21,35H2,(H,36,40)/t2*23-,24+,27-,30?,32-,33-/m11/s1 |
| InChIKey | BFEKFMRIAUKIQS-BLBIIOOTSA-N |
| Literature Reference Author | D.CLAES,M.HOLZAPFEL,N.CLAUSEN,W.MAISON |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,6361(2013) |
| Literature Reference DOI | 10.1002/ejoc.201300769 |
| Molecular Weight | 1195.042 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT20181 |