| SpectraBase Compound ID | AdqsZc2vM1O |
|---|---|
| InChI | InChI=1S/C35H45BrOSi/c1-28(23-24-33-29(2)17-15-26-35(33,6)7)16-14-18-30(36)25-27-37-38(34(3,4)5,31-19-10-8-11-20-31)32-21-12-9-13-22-32/h8-14,16,18-25H,15,17,26-27H2,1-7H3/b18-14+,24-23+,28-16+,30-25- |
| InChIKey | GKBKLQDEJWFJDY-HYWIOVDKSA-N |
| Mol Weight | 589.7 g/mol |
| Molecular Formula | C35H45BrOSi |
| Exact Mass | 588.242306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kyml3F8y73t |
|---|---|
| Name | (13Z)-13-Bromo-13-desmethylretinyl tert-butyldiphenylsilyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 588.242305603 u |
| Formula | C35H45BrOSi |
| InChI | InChI=1S/C35H45BrOSi/c1-28(23-24-33-29(2)17-15-26-35(33,6)7)16-14-18-30(36)25-27-37-38(34(3,4)5,31-19-10-8-11-20-31)32-21-12-9-13-22-32/h8-14,16,18-25H,15,17,26-27H2,1-7H3/b18-14+,24-23+,28-16+,30-25- |
| InChIKey | GKBKLQDEJWFJDY-HYWIOVDKSA-N |
| Molecular Weight | 589.733 g/mol |
| SMILES | C1(\C=C\C(=C\C=C\C(=C\CO[Si](C(C)(C)C)(C2=CC=CC=C2)C=2C=CC=CC2)Br)C)=C(CCCC1(C)C)C |