| SpectraBase Compound ID | 4FDfxl8Ywk0 |
|---|---|
| InChI | InChI=1S/C29H48O5Si3/c1-31-29-21-24(15-20-28(29)34-37(8,9)10)14-19-27(33-36(5,6)7)22-25(30)16-11-23-12-17-26(18-13-23)32-35(2,3)4/h12-13,15,17-18,20-21,27H,11,14,16,19,22H2,1-10H3 |
| InChIKey | POIQOOWDDCAEAE-UHFFFAOYSA-N |
| Mol Weight | 561.0 g/mol |
| Molecular Formula | C29H48O5Si3 |
| Exact Mass | 560.280954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4zO0HlisLwA |
|---|---|
| Name | 5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)-3-heptanone, 3tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 560.280954246 u |
| Formula | C29H48O5Si3 |
| InChI | InChI=1S/C29H48O5Si3/c1-31-29-21-24(15-20-28(29)34-37(8,9)10)14-19-27(33-36(5,6)7)22-25(30)16-11-23-12-17-26(18-13-23)32-35(2,3)4/h12-13,15,17-18,20-21,27H,11,14,16,19,22H2,1-10H3 |
| InChIKey | POIQOOWDDCAEAE-UHFFFAOYSA-N |
| Molecular Weight | 560.953 g/mol |
| SMILES | C1=C(C=CC(=C1)CCC(CC(CCC1=CC=C(C(=C1)OC)O[Si](C)(C)C)O[Si](C)(C)C)=O)O[Si](C)(C)C |