![1-[4'-(Tert-butyldiphenylsiloxymethyl)-6-methoxy-4,2',6'-tris-(4-methoxybenzyloxy)biphenyl-2-yl]oct-6-yn-1-ol](/api/spectrum/fsARGVPgb8/structure.png?h=300&w=458 "1-[4'-(Tert-butyldiphenylsiloxymethyl)-6-methoxy-4,2',6'-tris-(4-methoxybenzyloxy)biphenyl-2-yl]oct-6-yn-1-ol")
| SpectraBase Compound ID | GKVXP0euklc |
|---|---|
| InChI | InChI=1S/C62H68O9Si/c1-9-10-11-12-19-24-55(63)54-39-51(68-41-44-25-31-48(64-5)32-26-44)40-56(67-8)59(54)60-57(69-42-45-27-33-49(65-6)34-28-45)37-47(38-58(60)70-43-46-29-35-50(66-7)36-30-46)61(62(2,3)4)71-72(52-20-15-13-16-21-52)53-22-17-14-18-23-53/h13-18,20-23,25-40,55,61,63,72H,11-12,19,24,41-43H2,1-8H3 |
| InChIKey | JMANVSHXLSBRRL-UHFFFAOYSA-N |
| Mol Weight | 985.3 g/mol |
| Molecular Formula | C62H68O9Si |
| Exact Mass | 984.46326 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | fsARGVPgb8 |
|---|---|
| Name | 1-[4'-(Tert-butyldiphenylsiloxymethyl)-6-methoxy-4,2',6'-tris-(4-methoxybenzyloxy)biphenyl-2-yl]oct-6-yn-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 984.463260296 u |
| Formula | C62H68O9Si |
| InChI | InChI=1S/C62H68O9Si/c1-9-10-11-12-19-24-55(63)54-39-51(68-41-44-25-31-48(64-5)32-26-44)40-56(67-8)59(54)60-57(69-42-45-27-33-49(65-6)34-28-45)37-47(38-58(60)70-43-46-29-35-50(66-7)36-30-46)61(62(2,3)4)71-72(52-20-15-13-16-21-52)53-22-17-14-18-23-53/h13-18,20-23,25-40,55,61,63,72H,11-12,19,24,41-43H2,1-8H3 |
| InChIKey | JMANVSHXLSBRRL-UHFFFAOYSA-N |
| Molecular Weight | 985.302 g/mol |
| SMILES | C=1(C=2C(=CC(=CC2OCC2=CC=C(C=C2)OC)C(O[SiH](C=2C=CC=CC2)C2=CC=CC=C2)C(C)(C)C)OCC=2C=CC(=CC2)OC)C(=CC(=CC1OC)OCC=1C=CC(=CC1)OC)C(O)CCCCC#CC |