| SpectraBase Compound ID | EjMf2CendIG |
|---|---|
| InChI | InChI=1S/C12H14/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8H,1,3H2,2,4H3 |
| InChIKey | ZENYUPUKNXGVDY-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 | LVOGoDz9RFL |
|---|---|
| Name | Benzene, 1,4-bis(1-methylethenyl)- |
| 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/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8H,1,3H2,2,4H3 |
| InChIKey | ZENYUPUKNXGVDY-UHFFFAOYSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | CC(=C)C1=CC=C(C=C1)C(C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875093 |