| SpectraBase Compound ID | HTAuhrIfgig |
|---|---|
| InChI | InChI=1S/C23H35NO4Si/c1-23(2,3)29(5,6)26-14-17(15-10-8-7-9-11-15)22(25)27-16-12-18-20-21(28-20)19(13-16)24(18)4/h7-11,16-21H,12-14H2,1-6H3/t16?,17?,18-,19+,20-,21+ |
| InChIKey | AJYLFHGVIYJSRT-CAYXJYMISA-N |
| Mol Weight | 417.6 g/mol |
| Molecular Formula | C23H35NO4Si |
| Exact Mass | 417.233535 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5hLSb64TkiO |
|---|---|
| Name | Scopolamine tert-butyldimethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 417.233535142 u |
| Formula | C23H35NO4Si |
| InChI | InChI=1S/C23H35NO4Si/c1-23(2,3)29(5,6)26-14-17(15-10-8-7-9-11-15)22(25)27-16-12-18-20-21(28-20)19(13-16)24(18)4/h7-11,16-21H,12-14H2,1-6H3/t16?,17?,18-,19+,20-,21+ |
| InChIKey | AJYLFHGVIYJSRT-CAYXJYMISA-N |
| Molecular Weight | 417.621 g/mol |
| SMILES | [C@@]12(N([C@@](CC(C2)OC(C(CO[Si](C(C)(C)C)(C)C)C2=CC=CC=C2)=O)([C@]2([C@@]1(O2)[H])[H])[H])C)[H] |