| SpectraBase Compound ID | 2EUeNsRH0nM |
|---|---|
| InChI | InChI=1S/C10H11Cl/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7H,8H2,1H3/b10-2- |
| InChIKey | NKGAPYOBDADCJM-SGAXSIHGSA-N |
| Mol Weight | 166.65 g/mol |
| Molecular Formula | C10H11Cl |
| Exact Mass | 166.054928 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4qpxDRnpYsH |
|---|---|
| Name | Benzene, (2-chloro-2-butenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.054928054 u |
| Formula | C10H11Cl |
| InChI | InChI=1S/C10H11Cl/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7H,8H2,1H3/b10-2- |
| InChIKey | NKGAPYOBDADCJM-SGAXSIHGSA-N |
| Molecular Weight | 166.651 g/mol |
| SMILES | C(\C(=C\C)Cl)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972202 |