| SpectraBase Compound ID | BidmYO8uCZ2 |
|---|---|
| InChI | InChI=1S/C11H11Cl/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,8H,9H2,1H3 |
| InChIKey | GTDKDANKASRNLI-UHFFFAOYSA-N |
| Mol Weight | 178.66 g/mol |
| Molecular Formula | C11H11Cl |
| Exact Mass | 178.054928 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4MroeFSbeMM |
|---|---|
| Name | (4-Chloranyl-3-methyl-buta-1,2-dienyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.054928054 u |
| Formula | C11H11Cl |
| InChI | InChI=1S/C11H11Cl/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,8H,9H2,1H3 |
| InChIKey | GTDKDANKASRNLI-UHFFFAOYSA-N |
| Molecular Weight | 178.662 g/mol |
| SMILES | C(=C=C(CCl)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937344 |