| SpectraBase Spectrum ID |
9fUoNFK3KKK |
| Name |
(4A,4aa,8aa,9A)-4,9-Diphenyl-2,3,4,4A,5,8,8A,9-octahydro-1H-5,8A-methanocyclopenta[B]naphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.203450837 u |
| Formula |
C26H26 |
| InChI |
InChI=1S/C26H26/c1-3-8-17(9-4-1)23-21-12-7-13-22(21)24(18-10-5-2-6-11-18)26-20-15-14-19(16-20)25(23)26/h1-6,8-11,14-15,19-20,23-26H,7,12-13,16H2/t19?,20?,23-,24+,25+,26- |
| InChIKey |
AQELBZINMPINDN-DTJCQTNMSA-N |
| Molecular Weight |
338.494 g/mol |
| SMILES |
C12=C([C@@](C3=CC=CC=C3)([C@]3([C@@]([C@]1(C=1C=CC=CC1)[H])(C1C=CC3C1)[H])[H])[H])CCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960159 |
![(4a,4aa,8aa,9a)-4,9-Diphenyl-2,3,4,4a,5,8,8a,9-octahydro-1H-5,8a-methanocyclopenta[b]naphthalene](/api/spectrum/9fUoNFK3KKK/structure.png?h=300&w=458 "(4a,4aa,8aa,9a)-4,9-Diphenyl-2,3,4,4a,5,8,8a,9-octahydro-1H-5,8a-methanocyclopenta[b]naphthalene")
