![1H-Cyclobuta[de]naphthalene](/api/spectrum/GdrjoX9Pcob/structure.png?h=300&w=458 "1H-Cyclobuta[de]naphthalene")
| SpectraBase Compound ID | 975hRHIxSva |
|---|---|
| InChI | InChI=1S/C11H8/c1-3-8-4-2-6-10-7-9(5-1)11(8)10/h1-6H,7H2 |
| InChIKey | SMRGIWCLEKDGKT-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C11H8 |
| Exact Mass | 140.0626 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GdrjoX9Pcob |
|---|---|
| Name | 1H-Cyclobuta[de]naphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.062600258 u |
| Formula | C11H8 |
| InChI | InChI=1S/C11H8/c1-3-8-4-2-6-10-7-9(5-1)11(8)10/h1-6H,7H2 |
| InChIKey | SMRGIWCLEKDGKT-UHFFFAOYSA-N |
| Molecular Weight | 140.185 g/mol |
| SMILES | C=1C=2C=CC=C3C2C(=CC1)C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962631 |