| SpectraBase Compound ID | AGlu4qAR7AD |
|---|---|
| InChI | InChI=1S/C12H16/c1-2-4-8-12-10-6-5-9-11(12)7-3-1/h5-6,9-10H,1-4,7-8H2 |
| InChIKey | ADKYNRATSQVVPJ-UHFFFAOYSA-N |
| Mol Weight | 160.26 g/mol |
| Molecular Formula | C12H16 |
| Exact Mass | 160.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LFSr69GagmF |
|---|---|
| Name | 5,6,7,8,9,10-Hexahydrobenzocyclooctene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.125200515 u |
| Formula | C12H16 |
| InChI | InChI=1S/C12H16/c1-2-4-8-12-10-6-5-9-11(12)7-3-1/h5-6,9-10H,1-4,7-8H2 |
| InChIKey | ADKYNRATSQVVPJ-UHFFFAOYSA-N |
| Molecular Weight | 160.260 g/mol |
| SMILES | C1CCCC=2C=CC=CC2CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957156 |