| SpectraBase Compound ID | 3t49iFsOtJS |
|---|---|
| InChI | InChI=1S/C11H12O/c12-9-4-7-10-5-2-1-3-6-11(9,10)8-10/h1-3,6H,4-5,7-8H2 |
| InChIKey | KQRGWWKLNVHUOV-UHFFFAOYSA-N |
| Mol Weight | 160.22 g/mol |
| Molecular Formula | C11H12O |
| Exact Mass | 160.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CNSECf5leSI |
|---|---|
| Name | Tricyclo[5.3.1.0(1,7)]undeca-2,4-dien-10-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.088815005 u |
| Formula | C11H12O |
| InChI | InChI=1S/C11H12O/c12-9-4-7-10-5-2-1-3-6-11(9,10)8-10/h1-3,6H,4-5,7-8H2 |
| InChIKey | KQRGWWKLNVHUOV-UHFFFAOYSA-N |
| Molecular Weight | 160.216 g/mol |
| SMILES | C123C(CCC3=O)(CC=CC=C1)C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967623 |