| SpectraBase Compound ID | HJA3z4QdXNR |
|---|---|
| InChI | InChI=1S/C19H30O4Si/c1-18(2,3)13-22-16(20)14-11-9-10-12-15(14)17(21)23-24(7,8)19(4,5)6/h9-12H,13H2,1-8H3 |
| InChIKey | LMTYOIQHBNNIPD-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 | 52VDw6J79DT |
|---|---|
| Name | Mononeopentyl phthalate, tbdms 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/c1-18(2,3)13-22-16(20)14-11-9-10-12-15(14)17(21)23-24(7,8)19(4,5)6/h9-12H,13H2,1-8H3 |
| InChIKey | LMTYOIQHBNNIPD-UHFFFAOYSA-N |
| Molecular Weight | 350.530 g/mol |
| SMILES | C1=CC(=C(C=C1)C(=O)OCC(C)(C)C)C(=O)O[Si](C)(C(C)(C)C)C |