| SpectraBase Compound ID | 1JKNF20XnUt |
|---|---|
| InChI | InChI=1S/C19H30O4Si/c1-6-7-8-9-12-15(2)22-18(20)16-13-10-11-14-17(16)19(21)23-24(3,4)5/h10-11,13-15H,6-9,12H2,1-5H3 |
| InChIKey | YNVPHCYRFWQGMX-UHFFFAOYSA-N |
| Mol Weight | 350.53 g/mol |
| Molecular Formula | C19H30O4Si |
| Exact Mass | 350.191336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BvJKV4wfWKV |
|---|---|
| Name | Mono-octan-2-yl phthalate, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.191335977 u |
| Formula | C19H30O4Si |
| InChI | InChI=1S/C19H30O4Si/c1-6-7-8-9-12-15(2)22-18(20)16-13-10-11-14-17(16)19(21)23-24(3,4)5/h10-11,13-15H,6-9,12H2,1-5H3 |
| InChIKey | YNVPHCYRFWQGMX-UHFFFAOYSA-N |
| Molecular Weight | 350.530 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OC(CCCCCC)C)C(=O)O[Si](C)(C)C |