| SpectraBase Compound ID | 7z7voqCrny4 |
|---|---|
| InChI | InChI=1S/C18H28O4Si/c1-7-8-13-21-16(19)14-11-9-10-12-15(14)17(20)22-23(5,6)18(2,3)4/h9-12H,7-8,13H2,1-6H3 |
| InChIKey | XDOOJTRZJZXWOK-UHFFFAOYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C18H28O4Si |
| Exact Mass | 336.175686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6kLHxwEOOpt |
|---|---|
| Name | Monobutyl phthalate, tbdms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.175685913 u |
| Formula | C18H28O4Si |
| InChI | InChI=1S/C18H28O4Si/c1-7-8-13-21-16(19)14-11-9-10-12-15(14)17(20)22-23(5,6)18(2,3)4/h9-12H,7-8,13H2,1-6H3 |
| InChIKey | XDOOJTRZJZXWOK-UHFFFAOYSA-N |
| Molecular Weight | 336.503 g/mol |
| SMILES | C1=CC=C(C(=C1)C(=O)OCCCC)C(=O)O[Si](C)(C(C)(C)C)C |