![2-Methyltricyclo[6.2.2.0(2,7)]dodecane](/api/spectrum/IINmqQsbBZu/structure.png?h=300&w=458 "2-Methyltricyclo[6.2.2.0(2,7)]dodecane")
| SpectraBase Compound ID | 7bCSLrYo1rV |
|---|---|
| InChI | InChI=1S/C13H22/c1-13-9-3-2-4-12(13)10-5-7-11(13)8-6-10/h10-12H,2-9H2,1H3 |
| InChIKey | FZUUZNLQMNNWEJ-UHFFFAOYSA-N |
| Mol Weight | 178.32 g/mol |
| Molecular Formula | C13H22 |
| Exact Mass | 178.172151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IINmqQsbBZu |
|---|---|
| Name | 2-Methyltricyclo[6.2.2.0(2,7)]dodecane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.172150708 u |
| Formula | C13H22 |
| InChI | InChI=1S/C13H22/c1-13-9-3-2-4-12(13)10-5-7-11(13)8-6-10/h10-12H,2-9H2,1H3 |
| InChIKey | FZUUZNLQMNNWEJ-UHFFFAOYSA-N |
| Molecular Weight | 178.319 g/mol |
| SMILES | C12(C(C3CCC2CC3)CCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924252 |