| SpectraBase Compound ID | JNo0dT1gaI0 |
|---|---|
| InChI | InChI=1S/C20H32O4Si/c1-7-8-9-12-15-23-18(21)16-13-10-11-14-17(16)19(22)24-25(5,6)20(2,3)4/h10-11,13-14H,7-9,12,15H2,1-6H3 |
| InChIKey | INOBFBQQBPZPSC-UHFFFAOYSA-N |
| Mol Weight | 364.6 g/mol |
| Molecular Formula | C20H32O4Si |
| Exact Mass | 364.206986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JnqmH7w56uv |
|---|---|
| Name | Monohexyl phthalate, tbdms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.206986041 u |
| Formula | C20H32O4Si |
| InChI | InChI=1S/C20H32O4Si/c1-7-8-9-12-15-23-18(21)16-13-10-11-14-17(16)19(22)24-25(5,6)20(2,3)4/h10-11,13-14H,7-9,12,15H2,1-6H3 |
| InChIKey | INOBFBQQBPZPSC-UHFFFAOYSA-N |
| Molecular Weight | 364.557 g/mol |
| SMILES | C1=CC=C(C(=C1)C(=O)OCCCCCC)C(=O)O[Si](C)(C(C)(C)C)C |