SpectraBase Spectrum ID |
9eJOvrL7yjX |
Name |
4,4-Dibromotetracyclo[6.2.1.02,7.03,5]undec-9-ene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
301.930576386 u |
Formula |
C11H12Br2 |
InChI |
InChI=1S/C11H12Br2/c12-11(13)8-4-7-5-1-2-6(3-5)9(7)10(8)11/h1-2,5-10H,3-4H2/t5-,6+,7-,8+,9-,10+/m0/s1 |
InChIKey |
KRRDJXBIWHKKQW-AZVNGCGHSA-N |
Molecular Weight |
304.025 g/mol |
SMILES |
C1(Br)(Br)[C@]2([C@@]1([C@]1([C@@]3(C=C[C@@](C3)([C@]1([H])C2)[H])[H])[H])[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82547 |