| SpectraBase Compound ID | Lk7mKeJOkmW |
|---|---|
| InChI | InChI=1S/C39H70O9Si6/c1-49(2,3)41-28-35-36(46-52(10,11)12)37(47-53(13,14)15)38(48-54(16,17)18)39(43-35)42-30-22-19-29(20-23-30)21-26-33(40)32-25-24-31(44-50(4,5)6)27-34(32)45-51(7,8)9/h19-27,35-39H,28H2,1-18H3/b26-21+/t35-,36-,37+,38-,39-/m1/s1 |
| InChIKey | VBPLGUJCVZIRPP-YVQSENDISA-N |
| Mol Weight | 851.5 g/mol |
| Molecular Formula | C39H70O9Si6 |
| Exact Mass | 850.363543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HjMJl1gpGil |
|---|---|
| Name | Isoliquiritin, 6tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 850.363543035 u |
| Formula | C39H70O9Si6 |
| InChI | InChI=1S/C39H70O9Si6/c1-49(2,3)41-28-35-36(46-52(10,11)12)37(47-53(13,14)15)38(48-54(16,17)18)39(43-35)42-30-22-19-29(20-23-30)21-26-33(40)32-25-24-31(44-50(4,5)6)27-34(32)45-51(7,8)9/h19-27,35-39H,28H2,1-18H3/b26-21+/t35-,36-,37+,38-,39-/m1/s1 |
| InChIKey | VBPLGUJCVZIRPP-YVQSENDISA-N |
| Molecular Weight | 851.490 g/mol |
| SMILES | C(\C=C\C1=CC=C(C=C1)O[C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H])(=O)C1=C(C=C(C=C1)O[Si](C)(C)C)O[Si](C)(C)C |