![Bicyclo[4.2.0]octa-1,3,5-triene-8-carbonitrile](/api/spectrum/95hS3DnkJJx/structure.png?h=300&w=458 "Bicyclo[4.2.0]octa-1,3,5-triene-8-carbonitrile")
| SpectraBase Compound ID | JBhXEtXgHIj |
|---|---|
| InChI | InChI=1S/C9H7N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5H2 |
| InChIKey | FJIDKRPZJBUHME-UHFFFAOYSA-N |
| Mol Weight | 129.16 g/mol |
| Molecular Formula | C9H7N |
| Exact Mass | 129.057849 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 95hS3DnkJJx |
|---|---|
| Name | Bicyclo[4.2.0]octa-1,3,5-triene-8-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 129.057849229 u |
| Formula | C9H7N |
| InChI | InChI=1S/C9H7N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5H2 |
| InChIKey | FJIDKRPZJBUHME-UHFFFAOYSA-N |
| Molecular Weight | 129.162 g/mol |
| SMILES | C(#N)C1C2=C(C=CC=C2)C1 |
| Spectrum/Structure Validation Score (Raman) | 0.923523 |