| SpectraBase Compound ID | 5oWCpkZPF8X |
|---|---|
| InChI | InChI=1S/C12H22/c1-5-7-8-9-10-12(6-2)11(3)4/h6,10-11H,2,5,7-9H2,1,3-4H3/b12-10+ |
| InChIKey | GTUAAKWUXKGOAP-ZRDIBKRKSA-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 | 3lgCPTv6xSO |
|---|---|
| Name | (Z)-3-(1-Methylethyl)-1,3-nonadiene |
| 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/c1-5-7-8-9-10-12(6-2)11(3)4/h6,10-11H,2,5,7-9H2,1,3-4H3/b12-10+ |
| InChIKey | GTUAAKWUXKGOAP-ZRDIBKRKSA-N |
| Molecular Weight | 166.308 g/mol |
| SMILES | C(\C(=C/CCCCC)C(C)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908738 |