| SpectraBase Compound ID | HjyORtV7y5 |
|---|---|
| InChI | InChI=1S/C11H12/c1-3-4-7-11-8-5-6-10(2)9-11/h3-9H,1H2,2H3/b7-4- |
| InChIKey | IFFZIWFIIZSRQE-DAXSKMNVSA-N |
| Mol Weight | 144.22 g/mol |
| Molecular Formula | C11H12 |
| Exact Mass | 144.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7IwLs41wnIh |
|---|---|
| Name | 1-(3-Methylphenyl)buta-1,3-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.093900386 u |
| Formula | C11H12 |
| InChI | InChI=1S/C11H12/c1-3-4-7-11-8-5-6-10(2)9-11/h3-9H,1H2,2H3/b7-4- |
| InChIKey | IFFZIWFIIZSRQE-DAXSKMNVSA-N |
| Molecular Weight | 144.217 g/mol |
| SMILES | C(\C=C/C=1C=C(C)C=CC1)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858673 |