| SpectraBase Spectrum ID |
5DfIeYM0nMZ |
| Name |
2A-Bromotetradecahydro-3,4,7-metheno-1H-cyclopenta[A]pentaleno[2,1,6-cde]pentalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.067013612 u |
| Formula |
C16H19Br |
| InChI |
InChI=1S/C16H19Br/c17-16-4-3-7-10-9-5-1-2-6-8(5)12(13(9)14(7)16)15(16)11(6)10/h5-15H,1-4H2/t5-,6+,7?,8-,9+,10+,11-,12+,13-,14-,15+,16+/m0/s1 |
| InChIKey |
BHUNMABXVKFQQY-KSFVPMNMSA-N |
| Molecular Weight |
291.232 g/mol |
| SMILES |
C1[C@]2([C@]3([C@]4([C@]5([C@]([C@@]2([C@@]2([C@]5([C@]5([C@@]([C@]32[H])(CCC45)Br)[H])[H])[H])[H])(C1)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Raman) |
0.839644 |
![2A-Bromotetradecahydro-3,4,7-metheno-1H-cyclopenta[A]pentaleno[2,1,6-cde]pentalene](/api/spectrum/5DfIeYM0nMZ/structure.png?h=300&w=458 "2A-Bromotetradecahydro-3,4,7-metheno-1H-cyclopenta[A]pentaleno[2,1,6-cde]pentalene")
