| SpectraBase Compound ID | Dae9TcOsGyR |
|---|---|
| InChI | InChI=1S/C11H12/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,1-2H3 |
| InChIKey | ZSSKQAZGJBLRRM-UHFFFAOYSA-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 | LV2dgW6L5bS |
|---|---|
| Name | 3-Methylbut-1-ynylbenzene |
| 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/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,1-2H3 |
| InChIKey | ZSSKQAZGJBLRRM-UHFFFAOYSA-N |
| Molecular Weight | 144.217 g/mol |
| SMILES | CC(C#CC=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913646 |