| SpectraBase Compound ID | 8AwIrLf4nvY |
|---|---|
| InChI | InChI=1S/C16H24O4Si/c1-6-9-12(2)19-15(17)13-10-7-8-11-14(13)16(18)20-21(3,4)5/h7-8,10-12H,6,9H2,1-5H3 |
| InChIKey | OAUGFFVTEGZENL-UHFFFAOYSA-N |
| Mol Weight | 308.45 g/mol |
| Molecular Formula | C16H24O4Si |
| Exact Mass | 308.144386 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Z2zTLGXCga |
|---|---|
| Name | Mono-pentan-2-yl phthalate, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.144385784 u |
| Formula | C16H24O4Si |
| InChI | InChI=1S/C16H24O4Si/c1-6-9-12(2)19-15(17)13-10-7-8-11-14(13)16(18)20-21(3,4)5/h7-8,10-12H,6,9H2,1-5H3 |
| InChIKey | OAUGFFVTEGZENL-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C(=C1)C(=O)OC(CCC)C)C(=O)O[Si](C)(C)C |