| SpectraBase Compound ID | 3R5knNvjLe1 |
|---|---|
| InChI | InChI=1S/C19H26O6Si/c1-19(2,21)16-8-12-14(25-16)9-15-17(18(12)22-3)13(20)7-11(24-15)10-23-26(4,5)6/h7,9,16,21H,8,10H2,1-6H3 |
| InChIKey | JRBOOCAVIUERBR-UHFFFAOYSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C19H26O6Si |
| Exact Mass | 378.149865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zfyfSxtgO6 |
|---|---|
| Name | Cimifugin, o-tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.149865086 u |
| Formula | C19H26O6Si |
| InChI | InChI=1S/C19H26O6Si/c1-19(2,21)16-8-12-14(25-16)9-15-17(18(12)22-3)13(20)7-11(24-15)10-23-26(4,5)6/h7,9,16,21H,8,10H2,1-6H3 |
| InChIKey | JRBOOCAVIUERBR-UHFFFAOYSA-N |
| Molecular Weight | 378.496 g/mol |
| SMILES | C[Si](C)(C)OCC1=CC(C=2C(O1)=CC1=C(C2OC)CC(O1)C(C)(C)O)=O |