| SpectraBase Spectrum ID |
28ylUSZiEyg |
| Name |
(6rs,7rs)-(+/-)-4-(dimethylamino-6,7-diphenylbicyclo-[2.2.2]-octane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.214349873 u |
| Formula |
C22H27N |
| InChI |
InChI=1S/C22H27N/c1-23(2)22-14-13-19(20(15-22)17-9-5-3-6-10-17)21(16-22)18-11-7-4-8-12-18/h3-12,19-21H,13-16H2,1-2H3/t19-,20-,21-,22-/m0/s1 |
| InChIKey |
DTMNNZAPWJROSL-CMOCDZPBSA-N |
| Molecular Weight |
305.465 g/mol |
| SMILES |
[C@]12(N(C)C)C[C@@](C3=CC=CC=C3)([C@](CC1)([C@@](C2)(C1=CC=CC=C1)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818598 |
![(6rs,7rs)-(+/-)-4-(dimethylamino-6,7-diphenylbicyclo-[2.2.2]-octane](/api/spectrum/28ylUSZiEyg/structure.png?h=300&w=458 "(6rs,7rs)-(+/-)-4-(dimethylamino-6,7-diphenylbicyclo-[2.2.2]-octane")
