![Trans, trans-2-ethylbicyclo[4.4.0]decane](/api/spectrum/7BLwXZH7F9p/structure.png?h=300&w=458 "Trans, trans-2-ethylbicyclo[4.4.0]decane")
| SpectraBase Compound ID | L0X1ykrYWc4 |
|---|---|
| InChI | InChI=1S/C12H22/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h10-12H,2-9H2,1H3 |
| InChIKey | HUMCBDCARGDFNV-UHFFFAOYSA-N |
| Mol Weight | 166.31 g/mol |
| Molecular Formula | C12H22 |
| Exact Mass | 166.172151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7BLwXZH7F9p |
|---|---|
| Name | Trans, trans-2-ethylbicyclo[4.4.0]decane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.172150708 u |
| Formula | C12H22 |
| InChI | InChI=1S/C12H22/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h10-12H,2-9H2,1H3 |
| InChIKey | HUMCBDCARGDFNV-UHFFFAOYSA-N |
| Molecular Weight | 166.308 g/mol |
| SMILES | C1CCC2C(C1)CCCC2CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895173 |