| SpectraBase Spectrum ID |
Hf8C9jGVDtZ |
| Name |
(5S,8R)-10-Phenyl-2,3,4,5,6,7,8,9-octahydro-1H-5,8-epiminobenzo[7]annulene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.167399680 u |
| Formula |
C17H21N |
| InChI |
InChI=1S/C17H21N/c1-2-7-14(8-3-1)18-15-10-11-17(18)16-9-5-4-6-13(16)12-15/h1-3,7-8,15,17H,4-6,9-12H2/t15-,17+/m1/s1 |
| InChIKey |
AQNKBUOSOCUWJZ-WBVHZDCISA-N |
| Molecular Weight |
239.362 g/mol |
| SMILES |
C12=C(C[C@@]3(N([C@]2(CC3)[H])C2=CC=CC=C2)[H])CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928219 |
![(5S,8R)-10-Phenyl-2,3,4,5,6,7,8,9-octahydro-1H-5,8-epiminobenzo[7]annulene](/api/spectrum/Hf8C9jGVDtZ/structure.png?h=300&w=458 "(5S,8R)-10-Phenyl-2,3,4,5,6,7,8,9-octahydro-1H-5,8-epiminobenzo[7]annulene")
