| SpectraBase Compound ID | 8jQElgsg8Mt |
|---|---|
| InChI | InChI=1S/C33H69NO3Si4/c1-30(2,3)38(14,15)34(13)25-29(37-41(20,21)33(10,11)12)26-22-23-27(35-39(16,17)31(4,5)6)28(24-26)36-40(18,19)32(7,8)9/h22-24,29H,25H2,1-21H3 |
| InChIKey | IQNKYBLHZRAPLQ-UHFFFAOYSA-N |
| Mol Weight | 640.3 g/mol |
| Molecular Formula | C33H69NO3Si4 |
| Exact Mass | 639.435451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hCmDfoZotl |
|---|---|
| Name | (-)-epinephrine, 4tbdms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 639.435451223 u |
| Formula | C33H69NO3Si4 |
| InChI | InChI=1S/C33H69NO3Si4/c1-30(2,3)38(14,15)34(13)25-29(37-41(20,21)33(10,11)12)26-22-23-27(35-39(16,17)31(4,5)6)28(24-26)36-40(18,19)32(7,8)9/h22-24,29H,25H2,1-21H3 |
| InChIKey | IQNKYBLHZRAPLQ-UHFFFAOYSA-N |
| Molecular Weight | 640.259 g/mol |
| SMILES | C1=CC(=C(C=C1C(CN(C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C |