| SpectraBase Compound ID | 3HCDxQZqLxz |
|---|---|
| InChI | InChI=1S/C17H26O4Si/c1-12(2)11-13(3)20-16(18)14-9-7-8-10-15(14)17(19)21-22(4,5)6/h7-10,12-13H,11H2,1-6H3 |
| InChIKey | RJNLYECMSDEZQP-UHFFFAOYSA-N |
| Mol Weight | 322.48 g/mol |
| Molecular Formula | C17H26O4Si |
| Exact Mass | 322.160036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3sU9NbRwZi0 |
|---|---|
| Name | Mono-4-methylpentan-2-yl phthalate, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.160035848 u |
| Formula | C17H26O4Si |
| InChI | InChI=1S/C17H26O4Si/c1-12(2)11-13(3)20-16(18)14-9-7-8-10-15(14)17(19)21-22(4,5)6/h7-10,12-13H,11H2,1-6H3 |
| InChIKey | RJNLYECMSDEZQP-UHFFFAOYSA-N |
| Molecular Weight | 322.476 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OC(CC(C)C)C)C(=O)O[Si](C)(C)C |