| SpectraBase Compound ID | F5p5Egtp9sK |
|---|---|
| InChI | InChI=1S/C18H28O3Si/c1-11-7-8-14(21-22(4,5)6)18(3)10-9-13-12(2)17(19)20-16(13)15(11)18/h13-16H,1-2,7-10H2,3-6H3/t13-,14+,15+,16-,18-/m0/s1 |
| InChIKey | JLPZAMRVDDILCN-QXUSFIETSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C18H28O3Si |
| Exact Mass | 320.180771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AtLbdqUkUAd |
|---|---|
| Name | Reynosin, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.180771294 u |
| Formula | C18H28O3Si |
| InChI | InChI=1S/C18H28O3Si/c1-11-7-8-14(21-22(4,5)6)18(3)10-9-13-12(2)17(19)20-16(13)15(11)18/h13-16H,1-2,7-10H2,3-6H3/t13-,14+,15+,16-,18-/m0/s1 |
| InChIKey | JLPZAMRVDDILCN-QXUSFIETSA-N |
| Molecular Weight | 320.504 g/mol |
| SMILES | [C@]12(OC(C([C@@]2(CC[C@@]2([C@]1([H])C(CC[C@]2(O[Si](C)(C)C)[H])=C)C)[H])=C)=O)[H] |