| SpectraBase Spectrum ID |
bPlfhpZekg |
| Name |
Benzo[G]quinoline, 9-bromo-1,2,3,4,4A,5,10,10A-octahydro-8-methoxy-1-methyl-10-phenyl-, (4A.alpha.,10.beta.,10A.beta.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.104127396 u |
| Formula |
C21H24BrNO |
| InChI |
InChI=1S/C21H24BrNO/c1-23-12-6-9-16-13-15-10-11-17(24-2)20(22)18(15)19(21(16)23)14-7-4-3-5-8-14/h3-5,7-8,10-11,16,19,21H,6,9,12-13H2,1-2H3/t16-,19+,21+/m1/s1 |
| InChIKey |
BPISUBCQUQERRL-PBEJRMEISA-N |
| Molecular Weight |
386.333 g/mol |
| SMILES |
C=12[C@@]([C@]3(N(CCC[C@@]3(CC2=CC=C(C1Br)OC)[H])C)[H])(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846063 |
![Benzo[g]quinoline, 9-bromo-1,2,3,4,4a,5,10,10a-octahydro-8-methoxy-1-methyl-10-phenyl-, (4a.alpha.,10.beta.,10a.beta.)-(.+-.)-](/api/spectrum/bPlfhpZekg/structure.png?h=300&w=458 "Benzo[g]quinoline, 9-bromo-1,2,3,4,4a,5,10,10a-octahydro-8-methoxy-1-methyl-10-phenyl-, (4a.alpha.,10.beta.,10a.beta.)-(.+-.)-")
