SpectraBase Compound ID | KEnuswThB9e |
---|---|
InChI | InChI=1S/C9H14/c1-2-4-8-6-9(7-8)5-3-1/h6,8H,1-5,7H2 |
InChIKey | SBDWIUFWAYAFBW-UHFFFAOYSA-N |
Mol Weight | 122.21 g/mol |
Molecular Formula | C9H14 |
Exact Mass | 122.10955 g/mol |
SpectraBase Spectrum ID | 9CAHirNYuPX |
---|---|
Name | Bicyclo[5.1.1]non-7-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 122.109550451 u |
Formula | C9H14 |
InChI | InChI=1S/C9H14/c1-2-4-8-6-9(7-8)5-3-1/h6,8H,1-5,7H2 |
InChIKey | SBDWIUFWAYAFBW-UHFFFAOYSA-N |
Molecular Weight | 122.211 g/mol |
SMILES | C12=CC(C2)CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964454 |