![4-[1-Methyl-1-(4-methylphenyl)ethyl]benzoic acid, tms derivative](/api/spectrum/AQx1rqIc5up/structure.png?h=300&w=458 "4-[1-Methyl-1-(4-methylphenyl)ethyl]benzoic acid, tms derivative")
| SpectraBase Compound ID | Kl68ZbXutnW |
|---|---|
| InChI | InChI=1S/C20H26O2Si/c1-15-7-11-17(12-8-15)20(2,3)18-13-9-16(10-14-18)19(21)22-23(4,5)6/h7-14H,1-6H3 |
| InChIKey | FYVGUJQKXDMUAY-UHFFFAOYSA-N |
| Mol Weight | 326.51 g/mol |
| Molecular Formula | C20H26O2Si |
| Exact Mass | 326.170207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQx1rqIc5up |
|---|---|
| Name | 4-[1-Methyl-1-(4-methylphenyl)ethyl]benzoic acid, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.170206610 u |
| Formula | C20H26O2Si |
| InChI | InChI=1S/C20H26O2Si/c1-15-7-11-17(12-8-15)20(2,3)18-13-9-16(10-14-18)19(21)22-23(4,5)6/h7-14H,1-6H3 |
| InChIKey | FYVGUJQKXDMUAY-UHFFFAOYSA-N |
| Molecular Weight | 326.511 g/mol |
| SMILES | C[Si](C)(C)OC(C1=CC=C(C(C)(C)C=2C=CC(C)=CC2)C=C1)=O |