| SpectraBase Compound ID | 6jSLi44LBgy |
|---|---|
| InChI | InChI=1S/C14H18/c1-5-11(3)13-8-7-9-14(10-13)12(4)6-2/h5-12H,1-2H2,3-4H3 |
| InChIKey | GNGLWJYBALIILN-UHFFFAOYSA-N |
| Mol Weight | 186.3 g/mol |
| Molecular Formula | C14H18 |
| Exact Mass | 186.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ElnfVwgUfO |
|---|---|
| Name | Benzene, 1,3-bis(1-buten-3-yl-)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.140850580 u |
| Formula | C14H18 |
| InChI | InChI=1S/C14H18/c1-5-11(3)13-8-7-9-14(10-13)12(4)6-2/h5-12H,1-2H2,3-4H3 |
| InChIKey | GNGLWJYBALIILN-UHFFFAOYSA-N |
| Molecular Weight | 186.298 g/mol |
| SMILES | CC(C1=CC(C(C)C=C)=CC=C1)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912953 |