| SpectraBase Compound ID | 4pAAaQl0rdc |
|---|---|
| InChI | InChI=1S/C29H30Cl2N2O/c30-24-5-1-21(2-6-24)26-12-23(13-27(33-26)22-3-7-25(31)8-4-22)28(34)17-32-29-14-18-9-19(15-29)11-20(10-18)16-29/h1-8,12-13,18-20,28,32,34H,9-11,14-17H2/t18-,19+,20-,28?,29- |
| InChIKey | LQJUOTCZQXZOPN-OXEKRMLISA-N |
| Mol Weight | 493.48 g/mol |
| Molecular Formula | C29H30Cl2N2O |
| Exact Mass | 492.173519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G26bI7wvGS6 |
|---|---|
| Name | .alpha.-Adamantylaminomethyl-2,6-di-p-chlorophenyl-4-pyridine methanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 492.173518993 u |
| Formula | C29H30Cl2N2O |
| InChI | InChI=1S/C29H30Cl2N2O/c30-24-5-1-21(2-6-24)26-12-23(13-27(33-26)22-3-7-25(31)8-4-22)28(34)17-32-29-14-18-9-19(15-29)11-20(10-18)16-29/h1-8,12-13,18-20,28,32,34H,9-11,14-17H2/t18-,19+,20-,28?,29- |
| InChIKey | LQJUOTCZQXZOPN-OXEKRMLISA-N |
| Molecular Weight | 493.478 g/mol |
| SMILES | C1(=CC(=CC(=N1)C1=CC=C(C=C1)Cl)C(O)CNC12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])C1=CC=C(C=C1)Cl |