| SpectraBase Compound ID | A3l2K0LE34a |
|---|---|
| InChI | InChI=1S/C12H20/c1-9-10(12(9,5)6)7-8-11(2,3)4/h9-10H,1-6H3 |
| InChIKey | BNEJEMKBWHKNAX-UHFFFAOYSA-N |
| Mol Weight | 164.29 g/mol |
| Molecular Formula | C12H20 |
| Exact Mass | 164.156501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gkzok054Z2T |
|---|---|
| Name | 2-(3,3-Dimethyl-but-1-ynyl)-1,1,3-trimethyl-cyclopropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.156500644 u |
| Formula | C12H20 |
| InChI | InChI=1S/C12H20/c1-9-10(12(9,5)6)7-8-11(2,3)4/h9-10H,1-6H3 |
| InChIKey | BNEJEMKBWHKNAX-UHFFFAOYSA-N |
| Molecular Weight | 164.292 g/mol |
| SMILES | C(#CC1C(C)(C)C1C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895583 |