![1-(3"-Benzoyloxy-1"-octenyl)-5-[(1',1'-dimethylethyl)diphenylsilyloxy]octahydro-2-pentalenyl benzoate](/api/spectrum/BMAJECLcZec/structure.png?h=300&w=458 "1-(3\"-Benzoyloxy-1\"-octenyl)-5-[(1',1'-dimethylethyl)diphenylsilyloxy]octahydro-2-pentalenyl benzoate")
| SpectraBase Compound ID | KlNwv919RGw |
|---|---|
| InChI | InChI=1S/C46H54O5Si/c1-5-6-11-24-37(49-44(47)34-20-12-7-13-21-34)29-30-41-42-33-38(31-36(42)32-43(41)50-45(48)35-22-14-8-15-23-35)51-52(46(2,3)4,39-25-16-9-17-26-39)40-27-18-10-19-28-40/h7-10,12-23,25-30,36-38,41-43H,5-6,11,24,31-33H2,1-4H3/b30-29+ |
| InChIKey | KHZFTBDLTUNAAF-QVIHXGFCSA-N |
| Mol Weight | 715.0 g/mol |
| Molecular Formula | C46H54O5Si |
| Exact Mass | 714.374051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BMAJECLcZec |
|---|---|
| Name | 1-(3''-Benzoyloxy-1''-octenyl)-5-[(1',1'-dimethylethyl)diphenylsilyloxy]octahydro-2-pentalenyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 714.374051369 u |
| Formula | C46H54O5Si |
| InChI | InChI=1S/C46H54O5Si/c1-5-6-11-24-37(49-44(47)34-20-12-7-13-21-34)29-30-41-42-33-38(31-36(42)32-43(41)50-45(48)35-22-14-8-15-23-35)51-52(46(2,3)4,39-25-16-9-17-26-39)40-27-18-10-19-28-40/h7-10,12-23,25-30,36-38,41-43H,5-6,11,24,31-33H2,1-4H3/b30-29+ |
| InChIKey | KHZFTBDLTUNAAF-QVIHXGFCSA-N |
| SMILES | C1(O[Si](C(C)(C)C)(C2=CC=CC=C2)C2=CC=CC=C2)CC2C(\C=C\C(OC(=O)C=3C=CC=CC3)CCCCC)C(CC2C1)OC(=O)C1=CC=CC=C1 |