![7-Methylenebicyclo[4.2.0]octa-1,3,5-triene](/api/spectrum/HLFtsC8Pq7c/structure.png?h=300&w=458 "7-Methylenebicyclo[4.2.0]octa-1,3,5-triene")
| SpectraBase Compound ID | 4eF6WD8GI4X |
|---|---|
| InChI | InChI=1S/C9H8/c1-7-6-8-4-2-3-5-9(7)8/h2-5H,1,6H2 |
| InChIKey | SYNMYUUTAJUSDF-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C9H8 |
| Exact Mass | 116.0626 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HLFtsC8Pq7c |
|---|---|
| Name | 7-Methylenebicyclo[4.2.0]octa-1,3,5-triene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.062600258 u |
| Formula | C9H8 |
| InChI | InChI=1S/C9H8/c1-7-6-8-4-2-3-5-9(7)8/h2-5H,1,6H2 |
| InChIKey | SYNMYUUTAJUSDF-UHFFFAOYSA-N |
| Molecular Weight | 116.163 g/mol |
| SMILES | C1(C2=CC=CC=C2C1)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954522 |