| SpectraBase Compound ID | LLcAKYOPYTH |
|---|---|
| InChI | InChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h9,11-12H,4-8,10H2,1-3H3/b11-9+/t12-/m0/s1 |
| InChIKey | AYGCSJBMFWHHDD-ZKQHCESOSA-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 | eow821Z1JD |
|---|---|
| Name | (E,7S)-7-Methyl-5-undecene |
| 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/c1-4-6-8-9-11-12(3)10-7-5-2/h9,11-12H,4-8,10H2,1-3H3/b11-9+/t12-/m0/s1 |
| InChIKey | AYGCSJBMFWHHDD-ZKQHCESOSA-N |
| Molecular Weight | 168.324 g/mol |
| SMILES | C(\C=C\[C@](CCCC)(C)[H])CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911486 |