| SpectraBase Compound ID | FFxNZAPw36z |
|---|---|
| InChI | InChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h11H,4-10H2,1-3H3/b12-11+ |
| InChIKey | BNFCIDFHWFDEAB-VAWYXSNFSA-N |
| Mol Weight | 168.32 g/mol |
| Molecular Formula | C12H24 |
| Exact Mass | 168.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HEiQIZaVA9M |
|---|---|
| Name | 3-Undecene, 3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.187800773 u |
| Formula | C12H24 |
| InChI | InChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h11H,4-10H2,1-3H3/b12-11+ |
| InChIKey | BNFCIDFHWFDEAB-VAWYXSNFSA-N |
| Molecular Weight | 168.324 g/mol |
| SMILES | CCCCCCC\C=C\(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885062 |