| SpectraBase Compound ID | I1o6Ongz1Pu |
|---|---|
| InChI | InChI=1S/C32H54O8Si4/c1-41(2,3)35-22-25-20-16-17-21-26(25)36-32-30(40-44(10,11)12)29(39-43(7,8)9)28(38-42(4,5)6)27(37-32)23-34-31(33)24-18-14-13-15-19-24/h13-21,27-30,32H,22-23H2,1-12H3/t27-,28-,29+,30-,32-/m1/s1 |
| InChIKey | YWLAWDCXBVVJGS-LTGXLJKXSA-N |
| Mol Weight | 679.1 g/mol |
| Molecular Formula | C32H54O8Si4 |
| Exact Mass | 678.289575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I0HyfVfDeDK |
|---|---|
| Name | Populin, 4tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 678.289574831 u |
| Formula | C32H54O8Si4 |
| InChI | InChI=1S/C32H54O8Si4/c1-41(2,3)35-22-25-20-16-17-21-26(25)36-32-30(40-44(10,11)12)29(39-43(7,8)9)28(38-42(4,5)6)27(37-32)23-34-31(33)24-18-14-13-15-19-24/h13-21,27-30,32H,22-23H2,1-12H3/t27-,28-,29+,30-,32-/m1/s1 |
| InChIKey | YWLAWDCXBVVJGS-LTGXLJKXSA-N |
| Molecular Weight | 679.116 g/mol |
| SMILES | C1=CC=C(C(=C1)CO[Si](C)(C)C)O[C@@]1(O[C@@]([C@]([C@@]([C@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(COC(=O)C1=CC=CC=C1)[H])[H] |