| SpectraBase Compound ID | F5N5zPHdtsK |
|---|---|
| InChI | InChI=1S/C31H48NO3SSi.BF4/c1-7-37(8-2,9-3)35-31(26-21-23-28(34-6)24-22-26)30-20-16-11-10-13-17-27(30)25-36(33,32(4)5)29-18-14-12-15-19-29;2-1(3,4)5/h12,14-15,18-19,21-25,30-31H,7-11,13,16-17,20H2,1-6H3;/q+1;-1/b27-25-;/t30-,31+,36?;/m1./s1 |
| InChIKey | VGPAGGXDOUIQFG-BFRSPIHOSA-N |
| Mol Weight | 629.7 g/mol |
| Molecular Formula | C31H48BF4NO3SSi |
| Exact Mass | 629.315335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5MMJIUMMzxp |
|---|---|
| Name | VGPAGGXDOUIQFG-BFRSPIHOSA-N |
| Compound Number | 8C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48BF4NO3SSi |
| InChI | InChI=1S/C31H48NO3SSi.BF4/c1-7-37(8-2,9-3)35-31(26-21-23-28(34-6)24-22-26)30-20-16-11-10-13-17-27(30)25-36(33,32(4)5)29-18-14-12-15-19-29;2-1(3,4)5/h12,14-15,18-19,21-25,30-31H,7-11,13,16-17,20H2,1-6H3;/q+1;-1/b27-25-;/t30-,31+,36?;/m1./s1 |
| InChIKey | VGPAGGXDOUIQFG-BFRSPIHOSA-N |
| Literature Reference Author | H.J.GAIS,L.R.REDDY,G.S.BABU,G.RAABE |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,4859(2004) |
| Literature Reference DOI | 10.1021/ja030501v |
| Molecular Weight | 629.676 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN32131 |