| SpectraBase Compound ID | FN1gz3gXzQK |
|---|---|
| InChI | InChI=1S/C16H26O2Si/c1-12(2)11-14-7-9-15(10-8-14)13(3)16(17)18-19(4,5)6/h7-10,12-13H,11H2,1-6H3 |
| InChIKey | YCAAUQGUAZTIAV-UHFFFAOYSA-N |
| Mol Weight | 278.47 g/mol |
| Molecular Formula | C16H26O2Si |
| Exact Mass | 278.170207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A6cU4SXCJMf |
|---|---|
| Name | Ibuprofen, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.170206610 u |
| Formula | C16H26O2Si |
| InChI | InChI=1S/C16H26O2Si/c1-12(2)11-14-7-9-15(10-8-14)13(3)16(17)18-19(4,5)6/h7-10,12-13H,11H2,1-6H3 |
| InChIKey | YCAAUQGUAZTIAV-UHFFFAOYSA-N |
| SMILES | C(C(C)C1=CC=C(C=C1)CC(C)C)(O[Si](C)(C)C)=O |