| SpectraBase Compound ID | JODgUjwz2NU |
|---|---|
| InChI | InChI=1S/C17H26O4Si/c1-5-6-7-10-13-20-16(18)14-11-8-9-12-15(14)17(19)21-22(2,3)4/h8-9,11-12H,5-7,10,13H2,1-4H3 |
| InChIKey | IEVGQLBZCCWXIX-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 | 6AgGRadCj4O |
|---|---|
| Name | Monohexyl 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/c1-5-6-7-10-13-20-16(18)14-11-8-9-12-15(14)17(19)21-22(2,3)4/h8-9,11-12H,5-7,10,13H2,1-4H3 |
| InChIKey | IEVGQLBZCCWXIX-UHFFFAOYSA-N |
| Molecular Weight | 322.476 g/mol |
| SMILES | C1=CC=C(C(=C1)C(=O)OCCCCCC)C(=O)O[Si](C)(C)C |