| SpectraBase Spectrum ID |
CplhDHXCETH |
| Name |
1,5-Diphenyl-2-((1'S,2'S,4'S,5'S)-2'-hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-ylethynyl)-3-((1"S,2"S,4"S,5"S)-2"-hydroxymethyl-1"-azabicyclo[2.2.2]oct-5"-yl)benzene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H40N2O2 |
| InChI |
InChI=1S/C36H40N2O2/c39-23-31-17-27-13-15-37(31)21-29(27)11-12-33-34(26-9-5-2-6-10-26)19-30(25-7-3-1-4-8-25)20-35(33)36-22-38-16-14-28(36)18-32(38)24-40/h1-10,19-20,27-29,31-32,36,39-40H,13-18,21-24H2/t27-,28-,29-,31-,32-,36-/m0/s1 |
| InChIKey |
RWAGQBOUVVHDTP-GYLDQMLBSA-N |
| Molecular Weight |
532.728 g/mol |
| SMILES |
OC[C@@]1(C[C@@]2(CCN1C[C@@]2(C#Cc1c([C@@]2([C@@]3(C[C@@](CO)(N(C2)CC3)[H])[H])[H])cc(cc1-c1ccccc1)-c1ccccc1)[H])[H])[H] |
| SPLASH |
splash10-0f89-0000090000-92d55ebb6414d7809940 |
| Source of Spectrum |
F-65-6234-15 |
| Wiley ID |
1680197 |
![1,5-Diphenyl-2-((1'S,2'S,4'S,5'S)-2'-hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-ylethynyl)-3-((1"S,2"S,4"S,5"S)-2"-hydroxymethyl-1"-azabicyclo[2.2.2]oct-5"-yl)benzene](/api/spectrum/CplhDHXCETH/structure.png?h=300&w=458 "1,5-Diphenyl-2-((1'S,2'S,4'S,5'S)-2'-hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-ylethynyl)-3-((1\"S,2\"S,4\"S,5\"S)-2\"-hydroxymethyl-1\"-azabicyclo[2.2.2]oct-5\"-yl)benzene")
