| SpectraBase Compound ID | 1fSKqc0rAw5 |
|---|---|
| InChI | InChI=1S/C21H31NO4Si/c1-21(2,3)27(4,5)26-20(24)18-16-12-11-15(22-16)13-17(18)25-19(23)14-9-7-6-8-10-14/h6-10,15-18,22H,11-13H2,1-5H3 |
| InChIKey | ZFHDHHGAFAAQMX-UHFFFAOYSA-N |
| Mol Weight | 389.57 g/mol |
| Molecular Formula | C21H31NO4Si |
| Exact Mass | 389.202235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ES7SP7OSirm |
|---|---|
| Name | Cocaine-m tbdms P1400 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.202235013 u |
| Formula | C21H31NO4Si |
| InChI | InChI=1S/C21H31NO4Si/c1-21(2,3)27(4,5)26-20(24)18-16-12-11-15(22-16)13-17(18)25-19(23)14-9-7-6-8-10-14/h6-10,15-18,22H,11-13H2,1-5H3 |
| InChIKey | ZFHDHHGAFAAQMX-UHFFFAOYSA-N |
| Molecular Weight | 389.567 g/mol |
| SMILES | C1(=CC=CC=C1)C(OC1CC2NC(CC2)C1C(O[Si](C)(C)C(C)(C)C)=O)=O |