![3-[(Benzyloxy)methyl]-2-(triethylsilyloxy)-1-[[N-[3-[(tert-butyldimethylsilyloxy)propyl]]-N-methylamino]methyl]-5,5-dimethylcyclohexane](/api/spectrum/2Z4MsRTnYas/structure.png?h=300&w=458 "3-[(Benzyloxy)methyl]-2-(triethylsilyloxy)-1-[[N-[3-[(tert-butyldimethylsilyloxy)propyl]]-N-methylamino]methyl]-5,5-dimethylcyclohexane")
| SpectraBase Compound ID | 3siTARlSWpH |
|---|---|
| InChI | InChI=1S/C33H63NO3Si2/c1-12-39(13-2,14-3)37-31-29(25-34(9)21-18-22-36-38(10,11)32(4,5)6)23-33(7,8)24-30(31)27-35-26-28-19-16-15-17-20-28/h15-17,19-20,29-31H,12-14,18,21-27H2,1-11H3/t29-,30+,31+/m1/s1 |
| InChIKey | NORBLZOXGGYHTD-AYQJTBPPSA-N |
| Mol Weight | 578.0 g/mol |
| Molecular Formula | C33H63NO3Si2 |
| Exact Mass | 577.434648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Z4MsRTnYas |
|---|---|
| Name | 3-[(Benzyloxy)methyl]-2-(triethylsilyloxy)-1-[[N-[3-[(tert-butyldimethylsilyloxy)propyl]]-N-methylamino]methyl]-5,5-dimethylcyclohexane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 577.434647960 u |
| Formula | C33H63NO3Si2 |
| InChI | InChI=1S/C33H63NO3Si2/c1-12-39(13-2,14-3)37-31-29(25-34(9)21-18-22-36-38(10,11)32(4,5)6)23-33(7,8)24-30(31)27-35-26-28-19-16-15-17-20-28/h15-17,19-20,29-31H,12-14,18,21-27H2,1-11H3/t29-,30+,31+/m1/s1 |
| InChIKey | NORBLZOXGGYHTD-AYQJTBPPSA-N |
| Molecular Weight | 578.041 g/mol |
| SMILES | [C@@]1([C@@]([C@](COCC2=CC=CC=C2)(CC(C1)(C)C)[H])(O[Si](CC)(CC)CC)[H])(CN(CCCO[Si](C(C)(C)C)(C)C)C)[H] |