| SpectraBase Compound ID | DRTVyxl4JlF |
|---|---|
| InChI | InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h3,5,7-8,10-11H,1,4,6,9H2 |
| InChIKey | IILZSJGDSBDTAL-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C12H14 |
| Exact Mass | 158.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7sZOhgVFTPb |
|---|---|
| Name | Benzene, 4,5-hexadienyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.109550451 u |
| Formula | C12H14 |
| InChI | InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h3,5,7-8,10-11H,1,4,6,9H2 |
| InChIKey | IILZSJGDSBDTAL-UHFFFAOYSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | C(=C=C)CCCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978758 |