![Bicyclo[4.2.0]octa-1,3,5-triene, 7-methyl-](/api/spectrum/15cUwl8XK2W/structure.png?h=300&w=458 "Bicyclo[4.2.0]octa-1,3,5-triene, 7-methyl-")
| SpectraBase Compound ID | FFc2TQKs3qc |
|---|---|
| InChI | InChI=1S/C9H10/c1-7-6-8-4-2-3-5-9(7)8/h2-5,7H,6H2,1H3 |
| InChIKey | DIIIHASDQIQOFX-UHFFFAOYSA-N |
| Mol Weight | 118.18 g/mol |
| Molecular Formula | C9H10 |
| Exact Mass | 118.07825 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 15cUwl8XK2W |
|---|---|
| Name | Bicyclo[4.2.0]octa-1,3,5-triene, 7-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.078250322 u |
| Formula | C9H10 |
| InChI | InChI=1S/C9H10/c1-7-6-8-4-2-3-5-9(7)8/h2-5,7H,6H2,1H3 |
| InChIKey | DIIIHASDQIQOFX-UHFFFAOYSA-N |
| Molecular Weight | 118.179 g/mol |
| SMILES | C1=C2C(C(C2)C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960719 |