| SpectraBase Compound ID | 9GFrKlVy4k8 |
|---|---|
| InChI | InChI=1S/C33H40O/c1-2-6-28(7-3-1)34-30-9-5-4-8-29(30)31(32-16-22-10-23(17-32)12-24(11-22)18-32)33-19-25-13-26(20-33)15-27(14-25)21-33/h1-9,22-27,31H,10-21H2/t22-,23+,24-,25-,26+,27-,32-,33- |
| InChIKey | BSPDWGIXDVKVGU-NGYDMWIWSA-N |
| Mol Weight | 452.7 g/mol |
| Molecular Formula | C33H40O |
| Exact Mass | 452.307916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hkXh97L6Ti |
|---|---|
| Name | 1-(Diadamanthyl)-2-phenoxybenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.307915907 u |
| Formula | C33H40O |
| InChI | InChI=1S/C33H40O/c1-2-6-28(7-3-1)34-30-9-5-4-8-29(30)31(32-16-22-10-23(17-32)12-24(11-22)18-32)33-19-25-13-26(20-33)15-27(14-25)21-33/h1-9,22-27,31H,10-21H2/t22-,23+,24-,25-,26+,27-,32-,33- |
| InChIKey | BSPDWGIXDVKVGU-NGYDMWIWSA-N |
| Molecular Weight | 452.682 g/mol |
| SMILES | C1(=CC=CC=C1)OC1=C(C=CC=C1)C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |